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71746337
 
#1

Cayman Chemical: 10747
ref: mol2, SDF, SMILES, flexibase
4.38,8.56,-13.44,1,5,0, 400.478, 5
lo: mol2, SDF, SMILES, flexibase
4.38,10.83,-52.8,2,5,1, 401.486, 5
71746336
 
#2

Cayman Chemical: 9001030
ref: mol2, SDF, SMILES, flexibase
6.20,15.21,-12.89,0,2,0, 359.444, 6
71746335
 
#3

Cayman Chemical: 9001030
ref: mol2, SDF, SMILES, flexibase
6.20,15.21,-13.11,0,2,0, 359.444, 6
71746334
 
#4

Cayman Chemical: 9001040
ref: mol2, SDF, SMILES, flexibase
7.58,16.43,-11.85,0,2,0, 369.508, 7

Similar to: 42966603,
71746333
 
#5

Cayman Chemical: 11118
ref: mol2, SDF, SMILES, flexibase
5.27,11.92,-13.04,1,3,0, 357.453, 6
71746332
 
#6

Cayman Chemical: 11118
ref: mol2, SDF, SMILES, flexibase
5.27,11.92,-13.13,1,3,0, 357.453, 6
71746331
 
#7

Cayman Chemical: 9001027
Toronto Research Chemicals: J211910
ref: mol2, SDF, SMILES, flexibase
7.37,15.66,-12.72,0,2,0, 375.899, 6
71746330
 
#8

Cayman Chemical: 9001034
Toronto Research Chemicals: J211410
ref: mol2, SDF, SMILES, flexibase
7.11,15.69,-12.14,0,2,0, 355.481, 6

Similar to: 42966603,
71746329
 
#9

Cayman Chemical: 9001000
ref: mol2, SDF, SMILES, flexibase
6.46,13.95,-11.97,0,2,0, 341.454, 4
71746328
 
#10

Cayman Chemical: 9001125
ref: mol2, SDF, SMILES, flexibase
2.25,6.29,-42.64,1,4,1, 236.291, 4
mid: mol2, SDF, SMILES, flexibase
2.25,4.44,-9.64,0,4,0, 235.283, 4
71746327
 
#11

Cayman Chemical: 9001125
ref: mol2, SDF, SMILES, flexibase
2.25,6.26,-42.52,1,4,1, 236.291, 4
mid: mol2, SDF, SMILES, flexibase
2.25,4.37,-9.73,0,4,0, 235.283, 4
71746326
 
#12

Cayman Chemical: 9001023
Toronto Research Chemicals: J211905
ref: mol2, SDF, SMILES, flexibase
7.34,15.62,-13.36,0,2,0, 375.899, 6
71746325
 
#13

Cayman Chemical: 9001033
Toronto Research Chemicals: J211405
ref: mol2, SDF, SMILES, flexibase
7.11,15.81,-12.01,0,2,0, 355.481, 6
33961949
 
#14

Cayman Chemical: 9001124
PubChem: 9794472
ref: mol2, SDF, SMILES, flexibase
1.71,5.52,-42.23,1,4,1, 222.264, 3
mid: mol2, SDF, SMILES, flexibase
1.71,3.15,-9.77,0,4,0, 221.256, 3
33961948
 
#15

Cayman Chemical: 9001124
PubChem: 9794472
ref: mol2, SDF, SMILES, flexibase
1.71,5.5,-42.17,1,4,1, 222.264, 3
mid: mol2, SDF, SMILES, flexibase
1.71,2.92,-9.64,0,4,0, 221.256, 3
71746324
 
#16

Cayman Chemical: 9000774
ref: mol2, SDF, SMILES, flexibase
4.93,4.77,-6.84,3,3,0, 334.5, 8
71746323
 
#17

Cayman Chemical: 9001043
ref: mol2, SDF, SMILES, flexibase
7.58,15.97,-11.53,0,2,0, 369.508, 7
71746322
 
#18

Cayman Chemical: 9001026
ref: mol2, SDF, SMILES, flexibase
7.37,15.65,-10.87,0,2,0, 375.899, 6
71746321
 
#19

Cayman Chemical: 9000772
Sigma Aldrich (BB, Depleted): S051|CERILLIAN
ref: mol2, SDF, SMILES, flexibase
6.05,13.09,-14.83,1,3,0, 385.507, 8
8381639
 
#20

Molport: MolPort-016-636-482
Alfa-Aesar: H54094
Cayman Chemical: 11054
Enamine Building Blocks: EN300-71466
Molport BB: MolPort-016-636-482...14 total

ref: mol2, SDF, SMILES, flexibase
2.05,4.78,-7.22,3,3,0, 212.252, 2
lo: mol2, SDF, SMILES, flexibase
2.05,4.62,-32.68,4,3,1, 213.26, 2
lo: mol2, SDF, SMILES, flexibase
2.05,4.52,-34.76,4,3,1, 213.26, 2

Similar to: 60142381,
71746320
 
#21

Cayman Chemical: 10939
Sigma Aldrich (BB, Depleted): S046|CERILLIAN, S055|CERILLIAN
ref: mol2, SDF, SMILES, flexibase
3.76,9.82,-17.6,1,4,0, 351.446, 8
71746319
 
#22

Cayman Chemical: 10939
Sigma Aldrich (BB, Depleted): S046|CERILLIAN, S055|CERILLIAN
ref: mol2, SDF, SMILES, flexibase
3.76,9.83,-16.75,1,4,0, 351.446, 8
71746318
 
#23

Cayman Chemical: 10566
ref: mol2, SDF, SMILES, flexibase
7.94,16.22,-14.35,2,6,0, 602.812, 11
hi: mol2, SDF, SMILES, flexibase
7.94,17.15,-14.92,1,6,0, 601.804, 11
71746317
 
#24

Cayman Chemical: 10566
ref: mol2, SDF, SMILES, flexibase
7.94,15.87,-20.19,2,6,0, 602.812, 11
hi: mol2, SDF, SMILES, flexibase
7.94,16.81,-20.21,1,6,0, 601.804, 11
12647936
 
#25

ChemMol: 44013530
eMolecules: 44842824
Molport: MolPort-002-499-428
AK Scientific: V4875
Alfa-Aesar: H51788...34 total

ref: mol2, SDF, SMILES, flexibase
-0.67,-0.75,-7.2,5,4,0, 151.169, 1
ref: mol2, SDF, SMILES, flexibase
-0.54,-0.91,-28.28,6,4,1, 152.177, 2
ref: mol2, SDF, SMILES, flexibase
-0.67,-0.96,-7.66,5,4,0, 151.169, 1
lo: mol2, SDF, SMILES, flexibase
-0.67,-1,-30.74,6,4,1, 152.177, 1
lo: mol2, SDF, SMILES, flexibase
-0.67,-0.91,-28.4,6,4,1, 152.177, 1

Similar to: 16957718,
33946209
 
#26

Ark Pharm Building Blocks: AK158549
Bide Pharmatech BB: BD287049
Cayman Chemical: 10448
Toronto Research Chemicals: M326375
PubChem: 6423085...7 total

ref: mol2, SDF, SMILES, flexibase
4.27,11,-35.01,1,2,1, 260.401, 6
hi: mol2, SDF, SMILES, flexibase
4.27,8.33,-6.05,0,2,0, 259.393, 6
33946208
 
#27

Ark Pharm Building Blocks: AK158549
Bide Pharmatech BB: BD287049
Cayman Chemical: 10448
Toronto Research Chemicals: M326375
PubChem: 6423085...7 total

ref: mol2, SDF, SMILES, flexibase
4.27,10.97,-34.96,1,2,1, 260.401, 6
hi: mol2, SDF, SMILES, flexibase
4.27,9.1,-6.94,0,2,0, 259.393, 6
71746316
 
#28

Cayman Chemical: 11075
ref: mol2, SDF, SMILES, flexibase
5.14,12.8,-16.2,0,3,0, 355.437, 6
71746315
 
#29

Cayman Chemical: 11075
ref: mol2, SDF, SMILES, flexibase
5.14,12.8,-15.99,0,3,0, 355.437, 6
71746313
 
#30

Cayman Chemical: 10746
ref: mol2, SDF, SMILES, flexibase
4.14,8.47,-13.59,1,5,0, 400.478, 5
lo: mol2, SDF, SMILES, flexibase
4.14,10.75,-57.15,2,5,1, 401.486, 5
71746312
 
#31

Cayman Chemical: 9001036
ref: mol2, SDF, SMILES, flexibase
7.14,15.81,-12.49,0,2,0, 355.481, 6

Similar to: 42966603,
71746311
 
#32

Cayman Chemical: 9001046
ref: mol2, SDF, SMILES, flexibase
6.72,14.51,-12.15,0,3,0, 371.48, 7
71746310
 
#33

Cayman Chemical: 9001006
ref: mol2, SDF, SMILES, flexibase
6.28,14.61,-12.26,0,2,0, 341.454, 4
71746309
 
#34

Cayman Chemical: 9001006
ref: mol2, SDF, SMILES, flexibase
6.28,14.62,-12.04,0,2,0, 341.454, 4
71746308
 
#35

Cayman Chemical: 10941
ref: mol2, SDF, SMILES, flexibase
5.93,16.35,-50.39,0,4,-1, 398.482, 8
lo: mol2, SDF, SMILES, flexibase
5.93,14.37,-16.12,1,4,0, 399.49, 8
71746307
 
#36

Cayman Chemical: 9001038
ref: mol2, SDF, SMILES, flexibase
7.58,16.5,-12.62,0,2,0, 369.508, 7
71746306
 
#37

Cayman Chemical: 9001035
ref: mol2, SDF, SMILES, flexibase
7.14,15.81,-12.03,0,2,0, 355.481, 6
71746305
 
#38

Cayman Chemical: 10848
ref: mol2, SDF, SMILES, flexibase
6.61,14.96,-13.2,0,2,0, 341.454, 5
71746304
 
#39

Cayman Chemical: 9001003
ref: mol2, SDF, SMILES, flexibase
6.25,14.81,-11.73,0,2,0, 341.454, 4
71746303
 
#40

Cayman Chemical: 9001003
ref: mol2, SDF, SMILES, flexibase
6.25,14.81,-11.8,0,2,0, 341.454, 4
71746302
 
#41

Cayman Chemical: 10203
Sigma Aldrich (BB, Depleted): S059|CERILLIAN
ref: mol2, SDF, SMILES, flexibase
4.96,12.01,-18.08,1,3,0, 375.443, 7
71746301
 
#42

Cayman Chemical: 10203
Sigma Aldrich (BB, Depleted): S059|CERILLIAN
ref: mol2, SDF, SMILES, flexibase
4.96,12.01,-18.03,1,3,0, 375.443, 7
71746300
 
#43

Cayman Chemical: 9001021
ref: mol2, SDF, SMILES, flexibase
5.85,14.42,-14.47,0,2,0, 319.448, 7
71746299
 
#44

Cayman Chemical: 11046
SureChEMBL: SCHEMBL14639838
ref: mol2, SDF, SMILES, flexibase
-0.26,-6.62,-19.65,5,12,0, 342.264, 4
71746298
 
#45

Cayman Chemical: 11046
SureChEMBL: SCHEMBL14639838
ref: mol2, SDF, SMILES, flexibase
-0.26,-6.65,-18.99,5,12,0, 342.264, 4
71746297
 
#46

Cayman Chemical: 11046
ref: mol2, SDF, SMILES, flexibase
-0.26,-6.16,-20.23,5,12,0, 342.264, 4
71746296
 
#47

Cayman Chemical: 11046
ref: mol2, SDF, SMILES, flexibase
-0.26,-6.99,-20.3,5,12,0, 342.264, 4
71746295
 
#48

Cayman Chemical: 10522
ref: mol2, SDF, SMILES, flexibase
6.36,15.61,-16.87,2,11,0, 648.79, 17
71746294
 
#49

Cayman Chemical: 10522
ref: mol2, SDF, SMILES, flexibase
6.36,16.08,-15.93,2,11,0, 648.79, 17
71746293
 
#50

Cayman Chemical: 10522
ref: mol2, SDF, SMILES, flexibase
6.36,15.68,-15.8,2,11,0, 648.79, 17
71746292
 
#51

Cayman Chemical: 10522
ref: mol2, SDF, SMILES, flexibase
6.36,15.52,-16.4,2,11,0, 648.79, 17
35878899
 
#52

Cayman Chemical: 10610
BindingDB.org: 50355658, 50426304
ChEMBL19: CHEMBL1910973, CHEMBL2312696, CHEMBL1962723
SureChEMBL: SCHEMBL1979695
ref: mol2, SDF, SMILES, flexibase
0.71,1.57,-51.29,6,6,1, 295.338, 9
71746291
 
#53

Cayman Chemical: 10513
Toronto Research Chemicals: R129202, R129200
AK Scientific (Depleted): Z1731
PubChem: 56841530
SureChEMBL: SCHEMBL15478842...6 total

ref: mol2, SDF, SMILES, flexibase
5.61,12.01,-12.41,0,3,0, 321.42, 7
71746290
 
#54

Cayman Chemical: 9001076
ref: mol2, SDF, SMILES, flexibase
6.61,14.9,-12.32,0,2,0, 341.454, 5
71746289
 
#55

Cayman Chemical: 13626
PubChem: 69962849
SureChEMBL: SCHEMBL7021427
ref: mol2, SDF, SMILES, flexibase
4.24,8.6,-54.51,2,5,-1, 411.465, 8
71746288
 
#56

Cayman Chemical: 10870
ref: mol2, SDF, SMILES, flexibase
6.01,13.92,-15.57,0,2,0, 435.28, 7
71746287
 
#57

Cayman Chemical: 9001025
Toronto Research Chemicals: J211900
BindingDB.org: 50401067
ChEMBL19: CHEMBL2206859
PubChem: 57458928...6 total

ref: mol2, SDF, SMILES, flexibase
7.34,15.57,-10.2,0,2,0, 375.899, 6
71746286
 
#58

Cayman Chemical: 10437
Toronto Research Chemicals: M304015
Sigma Aldrich (BB, Depleted): M154|CERILLIAN
SureChEMBL: SCHEMBL15162602
ref: mol2, SDF, SMILES, flexibase
2.65,7.46,-40.88,1,4,1, 262.329, 4
hi: mol2, SDF, SMILES, flexibase
2.65,4.82,-9.1,0,4,0, 261.321, 4
71746285
 
#59

Cayman Chemical: 10437
Toronto Research Chemicals: M304015
Sigma Aldrich (BB, Depleted): M154|CERILLIAN
SureChEMBL: SCHEMBL15162602
ref: mol2, SDF, SMILES, flexibase
2.65,7.32,-40.22,1,4,1, 262.329, 4
hi: mol2, SDF, SMILES, flexibase
2.65,5.01,-7.86,0,4,0, 261.321, 4
71746284
 
#60

Cayman Chemical: 11011
Toronto Research Chemicals: M287300
Alfa Chemistry (Depleted): ACM879669951
PubChem: 57501499
Sigma Aldrich (BB, Depleted): P087|CERILLIAN...5 total

ref: mol2, SDF, SMILES, flexibase
2.67,6.33,-38.69,2,2,1, 192.282, 5
mid: mol2, SDF, SMILES, flexibase
2.67,5.11,-7.39,1,2,0, 191.274, 5
71746283
 
#61

Cayman Chemical: 11011
Toronto Research Chemicals: M287300
Alfa Chemistry (Depleted): ACM879669951
PubChem: 57501499
Sigma Aldrich (BB, Depleted): P087|CERILLIAN...5 total

ref: mol2, SDF, SMILES, flexibase
2.67,6.3,-38.65,2,2,1, 192.282, 5
mid: mol2, SDF, SMILES, flexibase
2.67,5.2,-5.45,1,2,0, 191.274, 5
71746282
 
#62

Cayman Chemical: 10599
ChEMBL19: CHEMBL2204313
ref: mol2, SDF, SMILES, flexibase
1.02,2.1,-51.16,6,6,1, 311.793, 9
71746281
 
#63

Cayman Chemical: 10599
BindingDB.org: 50355657, 50426496
ChEMBL19: CHEMBL1910972, CHEMBL1962361
SureChEMBL: SCHEMBL1979577
ref: mol2, SDF, SMILES, flexibase
1.02,2.1,-51.13,6,6,1, 311.793, 9
71746280
 
#64

Cayman Chemical: 9001032
ref: mol2, SDF, SMILES, flexibase
7.11,15.74,-13.16,0,2,0, 355.481, 6
33952517
 
#65

Cayman Chemical: 10439
Toronto Research Chemicals: M304020
Alfa Chemistry (Depleted): ACM24698575
PubChem: 6430845
SureChEMBL: SCHEMBL15162174...5 total

ref: mol2, SDF, SMILES, flexibase
2.11,6.67,-40.62,1,4,1, 248.302, 3
hi: mol2, SDF, SMILES, flexibase
2.11,4.32,-10.06,0,4,0, 247.294, 3
33952516
 
#66

Cayman Chemical: 10439
Toronto Research Chemicals: M304020
Alfa Chemistry (Depleted): ACM24698575
PubChem: 6430845
SureChEMBL: SCHEMBL15162174...5 total

ref: mol2, SDF, SMILES, flexibase
2.11,6.56,-40.11,1,4,1, 248.302, 3
hi: mol2, SDF, SMILES, flexibase
2.11,4.29,-10.07,0,4,0, 247.294, 3
71746279
 
#67

Cayman Chemical: 9001029
ref: mol2, SDF, SMILES, flexibase
5.97,15.23,-14.52,0,2,0, 359.444, 6
71746278
 
#68

Cayman Chemical: 9001029
ref: mol2, SDF, SMILES, flexibase
5.97,15.23,-14.42,0,2,0, 359.444, 6
71746277
 
#69

Cayman Chemical: 10991
ref: mol2, SDF, SMILES, flexibase
4.24,8.82,-54.62,2,5,-1, 411.465, 8
71746276
 
#70

Cayman Chemical: 9000771
ref: mol2, SDF, SMILES, flexibase
7.08,13.56,-14.02,1,3,0, 385.507, 7
71746275
 
#71

Cayman Chemical: 10398
71746274
 
#72

Cayman Chemical: 9000767
Sigma Aldrich (BB, Depleted): S045|CERILLIAN
ref: mol2, SDF, SMILES, flexibase
3.90,9.77,-18.43,1,4,0, 351.446, 9
71746273
 
#73

Cayman Chemical: 9001056
ref: mol2, SDF, SMILES, flexibase
6.19,14.94,-12.66,0,2,0, 339.438, 6
71746272
 
#74

Cayman Chemical: 9000768
ref: mol2, SDF, SMILES, flexibase
5.19,11.19,-15.13,1,4,0, 387.479, 8
71746271
 
#75

Cayman Chemical: 10936
SureChEMBL: SCHEMBL15478843
ref: mol2, SDF, SMILES, flexibase
3.94,8.72,-14.47,1,4,0, 337.419, 7
71746270
 
#76

Cayman Chemical: 10936
SureChEMBL: SCHEMBL15478843
ref: mol2, SDF, SMILES, flexibase
3.94,8.72,-13.76,1,4,0, 337.419, 7
71746269
 
#77

Cayman Chemical: 10675
SureChEMBL: SCHEMBL15869118
ref: mol2, SDF, SMILES, flexibase
4.31,9.46,-31.81,4,8,0, 477.561, 14
71746268
 
#78

ChemMol: 44032865
American Custom Chemicals Corp.: BRS0000894
Cayman Chemical: 9000799
ShangHai Biochempartner (Depleted): BCP0725000215, BCP9000061
ref: mol2, SDF, SMILES, flexibase
6.56,14.44,-12.49,0,2,0, 349.518, 6
71746267
 
#79

Cayman Chemical: 10938
SureChEMBL: SCHEMBL15136266
ref: mol2, SDF, SMILES, flexibase
3.78,13.04,-52.99,0,5,-1, 364.421, 9
lo: mol2, SDF, SMILES, flexibase
3.78,11.06,-20.06,1,5,0, 365.429, 9
71746266
 
#80

Cayman Chemical: 9000766
ref: mol2, SDF, SMILES, flexibase
4.93,10.25,-18.03,1,4,0, 351.446, 8
71746264
 
#81

Cayman Chemical: 9001012
ref: mol2, SDF, SMILES, flexibase
6.01,13.94,-11.92,0,2,0, 327.427, 4
71746263
 
#82

Cayman Chemical: 9001012
ref: mol2, SDF, SMILES, flexibase
6.01,13.94,-11.93,0,2,0, 327.427, 4
71746262
 
#83

Cayman Chemical: 9001016
ref: mol2, SDF, SMILES, flexibase
6.04,13.74,-12.31,0,2,0, 327.427, 4
71746261
 
#84

Cayman Chemical: 9001016
ref: mol2, SDF, SMILES, flexibase
6.04,13.76,-12.21,0,2,0, 327.427, 4
71746260
 
#85

Cayman Chemical: 9001001
ref: mol2, SDF, SMILES, flexibase
6.47,14.35,-12.03,0,2,0, 341.454, 4
71746259
 
#86

Cayman Chemical: 9001008
ref: mol2, SDF, SMILES, flexibase
6.50,14.13,-13.01,0,2,0, 341.454, 4
71746258
 
#87

Cayman Chemical: 10937
ref: mol2, SDF, SMILES, flexibase
3.96,11.94,-50.42,0,5,-1, 350.394, 8
lo: mol2, SDF, SMILES, flexibase
3.96,9.96,-17.57,1,5,0, 351.402, 8
71746257
 
#88

Cayman Chemical: 10979
ref: mol2, SDF, SMILES, flexibase
2.54,5.11,-43.72,2,3,1, 208.281, 4
71746256
 
#89

Cayman Chemical: 10979
ref: mol2, SDF, SMILES, flexibase
2.54,5.11,-44.46,2,3,1, 208.281, 4
19594578
 
#90

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.
2539057
 
#91

BioSynth: D-5377
Cayman Chemical: 9000895
AKOS BB (make-on-demand): AKOS015898554
Alfa Chemistry (Depleted): ACM24581428, ACM3965977
BindingDB.org: 50130292...14 total

ref: mol2, SDF, SMILES, flexibase
2.31,1.3,-35.83,2,3,1, 219.308, 4

Similar to: 5910518, 39336453,
64446664
 
#92

Molport: MolPort-027-641-489
Cayman Chemical: 10683
Alfa Chemistry (Depleted): ACM1150153868
BindingDB.org: 50331011
ChEMBL12: CHEMBL1276200...12 total

ref: mol2, SDF, SMILES, flexibase
2.65,9.17,-32.3,1,3,1, 271.384, 1
65740986
 
#93

Cayman Chemical: 9001123
Toronto Research Chemicals: E925340
IBM Patent Data: 136204821
PubChem: 57252245
Sigma Aldrich (BB, Depleted): E071|CERILLIAN...6 total

ref: mol2, SDF, SMILES, flexibase
1.84,4.26,-44.97,2,4,1, 222.264, 4
mid: mol2, SDF, SMILES, flexibase
1.84,3.05,-9.07,1,4,0, 221.256, 4
65740984
 
#94

Cayman Chemical: 9001123
Toronto Research Chemicals: E925340
IBM Patent Data: 136204821
PubChem: 57252245, 60207996
Sigma Aldrich (BB, Depleted): E071|CERILLIAN...7 total

ref: mol2, SDF, SMILES, flexibase
1.84,4.25,-44.97,2,4,1, 222.264, 4
mid: mol2, SDF, SMILES, flexibase
1.84,3.08,-9.86,1,4,0, 221.256, 4
22449469
 
#95

Cayman Chemical: 11022
Chembo Pharma: KB-62821, KB-75518
Excenen: EX-A341
MedChem Express: HY-11106
Toronto Research Chemicals: I666650...43 total

ref: mol2, SDF, SMILES, flexibase
4.16,11.6,-47.6,3,9,1, 540.644, 8
ref: mol2, SDF, SMILES, flexibase
4.16,11.94,-48.76,3,9,1, 540.644, 8
mid: mol2, SDF, SMILES, flexibase
4.16,11.82,-51.87,3,9,1, 540.644, 8
hi: mol2, SDF, SMILES, flexibase
4.16,9.57,-21.96,2,9,0, 539.636, 8
hi: mol2, SDF, SMILES, flexibase
4.16,9.22,-16.93,2,9,0, 539.636, 8

Similar to: 34359415, 35881404,
41608880
 
#96

Cayman Chemical: 9001078
Toronto Research Chemicals: E922000
Sigma Aldrich (BB, Depleted): E090|CERILLIAN
ref: mol2, SDF, SMILES, flexibase
2.49,6.16,-38.74,2,2,1, 192.282, 4
mid: mol2, SDF, SMILES, flexibase
2.49,4.85,-5.85,1,2,0, 191.274, 4
41608879
 
#97

Cayman Chemical: 9001078
Toronto Research Chemicals: E922000
Sigma Aldrich (BB, Depleted): E090|CERILLIAN
ref: mol2, SDF, SMILES, flexibase
2.49,6.2,-38.84,2,2,1, 192.282, 4
mid: mol2, SDF, SMILES, flexibase
2.49,4.95,-6.61,1,2,0, 191.274, 4
14722827
 
#98

TCM Database @ Taiwan: tcm03_000421
AK Scientific: X6983
BioSynth: W-202155
BOC Sciences BB: 2743-90-0
Cayman Chemical: 11001...31 total

ref: mol2, SDF, SMILES, flexibase
0.19,4.36,-39.09,2,2,1, 161.228, 1
lo: mol2, SDF, SMILES, flexibase
0.19,4.65,-100.17,3,2,2, 162.236, 1

Similar to: 32166467, 32166468, 32166472, 34418979, 34418980, ... 5 in total.
2555297
 
#99

AK Scientific: X6983
BioSynth: W-202155
BOC Sciences BB: 2743-90-0
Cayman Chemical: 11001
Chembo Pharma: KB-03489...42 total

ref: mol2, SDF, SMILES, flexibase
0.19,-0.93,-39.14,2,2,1, 161.228, 1
lo: mol2, SDF, SMILES, flexibase
0.19,-0.82,-100.23,3,2,2, 162.236, 1

Similar to: 32166467, 32166468, 32166472, 34418979, 34418980, ... 5 in total.
6091496
 
#100

ChemMol: 30109731, 44033083
Acorn PharmaTech: ACN-S001929
AK Scientific: Z1725
APIChem: AC-3402
Boerchem Pharmatech BB: BC654748...20 total

ref: mol2, SDF, SMILES, flexibase
0.84,-2.89,-54.86,3,3,1, 178.211, 0

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 = 321 ) limit 0,100

Smiles were