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Supplier information; Representations
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67665464
 
#1

Molcan: zonisamide
Toronto Research Chemicals: B204100, B204102
PubChem: 45038202, 11390621
ref: mol2, SDF, SMILES, flexibase
1.92,2.26,-14.75,0,4,0, 231.66, 2
67665462
 
#2

Molcan: zolpidem
Toronto Research Chemicals: M338600
PubChem: 69512457
Sigma Aldrich (BB, Depleted): Z2500010|FLUKA
SureChEMBL: SCHEMBL5630676...5 total

ref: mol2, SDF, SMILES, flexibase
3.15,10.87,-27.89,1,4,1, 308.405, 3
mid: mol2, SDF, SMILES, flexibase
3.15,10.39,-17.28,0,4,0, 307.397, 3

Similar to: 8550586,
2526964
 
#3

AK Scientific: N766
APIChem: AC-3377
Ark Pharm Building Blocks: AK158562, AK-27037
BePharm Building Blocks: B19066
BioSynth: Q-201947...27 total

18217608
 
#4

CCP W191G non-binders: MFCD00005237
ChemMol: 2000003, 83601347, 97806556, 44000842, 42302092, 1201844, 96700172, 30104557, 97800244
eMolecules: 824488, 483235
Molport: MolPort-000-920-454, MolPort-000-841-305
Acorn PharmaTech: ACN-000158...121 total

ref: mol2, SDF, SMILES, flexibase
-0.39,0.3,-8.82,3,4,0, 108.104, 0
ref: mol2, SDF, SMILES, flexibase
-0.39,0.31,-7.61,3,4,0, 108.104, 0
67665461
 
#5

Molcan: voglibose
ref: mol2, SDF, SMILES, flexibase
5.51,15.37,-50.93,5,12,1, 684.718, 17
hi: mol2, SDF, SMILES, flexibase
5.51,14.96,-25.73,4,12,0, 683.71, 17

Similar to: 38440354, 38467619,
67665459
 
#6

Molcan: voglibose
ChemDB: 6047480
PubChem: 569732
ref: mol2, SDF, SMILES, flexibase
6.63,17.51,-18.99,1,10,0, 596.588, 13
67665458
 
#7

BioSynth: W-203335
Molcan: voglibose
TCI: T2056
Toronto Research Chemicals: T284200
ChemDB: 6047480...7 total

ref: mol2, SDF, SMILES, flexibase
6.63,17.35,-21.54,1,10,0, 596.588, 13
67665456
 
#8

Molcan: voglibose
Toronto Research Chemicals: T284150
ChemDB: 6047480
PubChem: 569732
ref: mol2, SDF, SMILES, flexibase
6.63,17.51,-19.43,1,10,0, 596.588, 13
67665454
 
#9

Molcan: voglibose
Toronto Research Chemicals: T284150
ChemDB: 6047480
PubChem: 569732
ref: mol2, SDF, SMILES, flexibase
6.63,17.55,-23.56,1,10,0, 596.588, 13
67665452
 
#10

Molcan: voglibose
PubChem: 14299802
ref: mol2, SDF, SMILES, flexibase
6.18,18.13,-23.58,1,10,0, 608.599, 13

Similar to: 35804647,
67665451
 
#11

Molcan: voglibose
PubChem: 14299802
ref: mol2, SDF, SMILES, flexibase
6.18,18.43,-21.48,1,10,0, 608.599, 13

Similar to: 35804647,
67665449
 
#12

Molcan: voglibose
PubChem: 14299802
ref: mol2, SDF, SMILES, flexibase
6.18,19.16,-22.91,1,10,0, 608.599, 13

Similar to: 35804647,
67665447
 
#13

Molcan: voglibose
PubChem: 14299802
ref: mol2, SDF, SMILES, flexibase
6.18,17.56,-25.22,1,10,0, 608.599, 13

Similar to: 35804647,
67665446
 
#14

Molcan: voglibose
ref: mol2, SDF, SMILES, flexibase
7.21,13.56,-55.87,5,4,1, 564.79, 13
hi: mol2, SDF, SMILES, flexibase
7.21,12.45,-7.78,4,4,0, 563.782, 13
67665444
 
#15

Molcan: voglibose
ref: mol2, SDF, SMILES, flexibase
7.21,13.17,-53.93,5,4,1, 564.79, 13
hi: mol2, SDF, SMILES, flexibase
7.21,11.97,-8.02,4,4,0, 563.782, 13
67665443
 
#16

Molcan: voglibose
ref: mol2, SDF, SMILES, flexibase
7.21,15.71,-44.39,5,4,1, 564.79, 13
hi: mol2, SDF, SMILES, flexibase
7.21,15.23,-8.5,4,4,0, 563.782, 13
67665441
 
#17

Molcan: voglibose
ref: mol2, SDF, SMILES, flexibase
7.21,14.13,-45.76,5,4,1, 564.79, 13
hi: mol2, SDF, SMILES, flexibase
7.21,14.15,-8.21,4,4,0, 563.782, 13
67665440
 
#18

AK Scientific: W3002
Chembo Pharma: KB-67926
Molcan: valsartan
Tractus: TRA0023196
IBM Patent Data: 135890530...8 total

ref: mol2, SDF, SMILES, flexibase
6.75,16.62,-47.26,0,8,-1, 524.645, 13
lo: mol2, SDF, SMILES, flexibase
6.75,18.17,-20.86,1,8,0, 525.653, 13
67665438
 
#19

Chembo Pharma: KB-63880
Molcan: valsartan
Molport BB: MolPort-039-063-662
Toronto Research Chemicals: V095770
Tractus: TRA0099320...5 total

ref: mol2, SDF, SMILES, flexibase
2.58,13.02,-140.6,0,8,-2, 419.485, 9
lo: mol2, SDF, SMILES, flexibase
2.58,13.28,-74.85,1,8,-1, 420.493, 9
67665436
 
#20

Molcan: trandolapril
ref: mol2, SDF, SMILES, flexibase
4.93,12.52,-11.45,0,6,0, 454.611, 7
mid: mol2, SDF, SMILES, flexibase
4.93,13.24,-40.62,1,6,1, 455.619, 7
67665434
 
#21

Molcan: trandolapril
PubChem: 67925789
SureChEMBL: SCHEMBL9775454
ref: mol2, SDF, SMILES, flexibase
3.59,11.68,-47.17,1,7,-1, 435.585, 10
mid: mol2, SDF, SMILES, flexibase
3.59,12.13,-44.05,2,7,0, 436.593, 10
53199330
 
#22

Acorn PharmaTech: ACN-S001496
AK Scientific: H034
American Custom Chemicals Corp.: API0004465
Chembo Pharma: KB-81195
FineTech: FT-0629998...39 total

35018256
 
#23

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.
67665433
 
#24

Molcan: tolterodine
Toronto Research Chemicals: D290225
HMDB Drug: HMDB13972
HMDB Drug Metabolites: HMDB13972
HMDB Endogenous: HMDB13972...10 total

ref: mol2, SDF, SMILES, flexibase
4.60,8.31,-38.26,3,2,1, 284.423, 6
67665431
 
#25

Molcan: telmisartan
Toronto Research Chemicals: T017032, T017030
PubChem: 10076748, 57552747
ref: mol2, SDF, SMILES, flexibase
8.72,21.33,-18.14,0,6,0, 570.737, 9
mid: mol2, SDF, SMILES, flexibase
8.72,21.75,-32.53,1,6,1, 571.745, 9
lo: mol2, SDF, SMILES, flexibase
8.72,22.01,-80.16,2,6,2, 572.753, 9
67665429
 
#26

Molcan: telmisartan
PubChem: 11757745
ref: mol2, SDF, SMILES, flexibase
8.72,20.7,-16.07,0,6,0, 570.737, 9
mid: mol2, SDF, SMILES, flexibase
8.72,21.14,-30.86,1,6,1, 571.745, 9
lo: mol2, SDF, SMILES, flexibase
8.72,21.26,-38.85,1,6,1, 571.745, 9
lo: mol2, SDF, SMILES, flexibase
8.72,21.72,-79.9,2,6,2, 572.753, 9
67665428
 
#27

Molcan: telmisartan
PubChem: 44518369
ref: mol2, SDF, SMILES, flexibase
8.21,20.22,-19.17,0,6,0, 542.683, 9
mid: mol2, SDF, SMILES, flexibase
8.21,20.63,-33.06,1,6,1, 543.691, 9
lo: mol2, SDF, SMILES, flexibase
8.21,20.89,-80.33,2,6,2, 544.699, 9
67665426
 
#28

American Custom Chemicals Corp.: CHM0163908
Molcan: telmisartan
Toronto Research Chemicals: T017020
PubChem: 11978018
SureChEMBL: SCHEMBL2039420...5 total

ref: mol2, SDF, SMILES, flexibase
6.85,15.6,-21.45,2,6,0, 513.645, 7
mid: mol2, SDF, SMILES, flexibase
6.85,16.02,-34.57,3,6,1, 514.653, 7
lo: mol2, SDF, SMILES, flexibase
6.85,16.28,-80.12,4,6,2, 515.661, 7
67665425
 
#29

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.37,13.74,-7.21,0,5,0, 432.601, 8
67665423
 
#30

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.37,13.5,-9.75,0,5,0, 432.601, 8
67665422
 
#31

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.37,13.58,-14.32,0,5,0, 432.601, 8
67665421
 
#32

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.26,10.63,-15.39,2,6,0, 450.616, 12
67665419
 
#33

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.26,10.24,-13.79,2,6,0, 450.616, 12
67665418
 
#34

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.26,9.67,-15.96,2,6,0, 450.616, 12
67665417
 
#35

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
2.99,6.76,-17.67,4,8,0, 510.668, 15
67665415
 
#36

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
2.99,6.27,-18.29,4,8,0, 510.668, 15
67665413
 
#37

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
2.99,5.87,-16.96,4,8,0, 510.668, 15
67665412
 
#38

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
2.99,5.31,-18.75,4,8,0, 510.668, 15
67665410
 
#39

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.59,11.23,-11.09,1,5,0, 416.558, 7
67665409
 
#40

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.59,11.1,-10.7,1,5,0, 416.558, 7
67665407
 
#41

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.75,14.71,-7.12,0,5,0, 446.628, 9
67665406
 
#42

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.75,14.46,-9.64,0,5,0, 446.628, 9
67665405
 
#43

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.75,14.82,-13.52,0,5,0, 446.628, 9
67665403
 
#44

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.75,14.55,-14.39,0,5,0, 446.628, 9
67665402
 
#45

Molcan: simvastatin
PubChem: 58637367, 59768038, 59767981
SureChEMBL: SCHEMBL13524841, SCHEMBL14084448, SCHEMBL14520415
ref: mol2, SDF, SMILES, flexibase
5.32,9.74,-6.85,2,4,0, 406.607, 10

Similar to: 38558251,
67665400
 
#46

Molcan: simvastatin
PubChem: 59048619, 60111395, 59768038, 58637367
SureChEMBL: SCHEMBL14084448, SCHEMBL14520415
ref: mol2, SDF, SMILES, flexibase
5.32,10.65,-7.25,2,4,0, 406.607, 10

Similar to: 38558251,
67665398
 
#47

Molcan: simvastatin
PubChem: 58637367
SureChEMBL: SCHEMBL14520415
ref: mol2, SDF, SMILES, flexibase
5.32,9.1,-8.41,2,4,0, 406.607, 10

Similar to: 38558251,
67665397
 
#48

Molcan: simvastatin
PubChem: 58637367
SureChEMBL: SCHEMBL14520415
ref: mol2, SDF, SMILES, flexibase
5.32,10.24,-7.95,2,4,0, 406.607, 10

Similar to: 38558251,
67665395
 
#49

Molcan: simvastatin
PubChem: 60081701
ref: mol2, SDF, SMILES, flexibase
4.85,12.42,-46.69,1,5,-1, 417.566, 10
67665393
 
#50

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.85,11.86,-47.59,1,5,-1, 417.566, 10
67665392
 
#51

Molcan: simvastatin
PubChem: 60081701
ref: mol2, SDF, SMILES, flexibase
4.85,12.48,-46.56,1,5,-1, 417.566, 10
67665390
 
#52

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.85,11.87,-49.02,1,5,-1, 417.566, 10
67665389
 
#53

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.98,12.6,-6.15,1,3,0, 388.592, 9
67665387
 
#54

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.98,12.08,-6.18,1,3,0, 388.592, 9
67665386
 
#55

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.98,12.67,-5.36,1,3,0, 388.592, 9
67665384
 
#56

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
5.98,12.1,-6.22,1,3,0, 388.592, 9
67665382
 
#57

Molcan: simvastatin
PubChem: 60067815
SureChEMBL: SCHEMBL14455953, SCHEMBL13406832
ref: mol2, SDF, SMILES, flexibase
5.96,14.45,-10.99,0,4,0, 400.559, 7
67665381
 
#58

Molcan: simvastatin
SureChEMBL: SCHEMBL13406832
ref: mol2, SDF, SMILES, flexibase
5.96,14.27,-13.63,0,4,0, 400.559, 7
67665380
 
#59

Molcan: simvastatin
PubChem: 14477899, 57577891
SureChEMBL: SCHEMBL13934501
ref: mol2, SDF, SMILES, flexibase
3.96,9.61,-15.56,4,7,0, 451.604, 12
67665379
 
#60

Molcan: simvastatin
PubChem: 57577891
SureChEMBL: SCHEMBL13934501
ref: mol2, SDF, SMILES, flexibase
3.96,9.12,-16.29,4,7,0, 451.604, 12
67665378
 
#61

Molcan: simvastatin
PubChem: 59916843
ref: mol2, SDF, SMILES, flexibase
3.96,8.73,-14.81,4,7,0, 451.604, 12
67665377
 
#62

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
3.96,8.16,-16.82,4,7,0, 451.604, 12
38309998
 
#63

Molcan: simvastatin
Biocyc via PubChem: CPD66-18
PubChem: 59916846, 12098053, 52940247, 60147551, 59064175, 11155240
SureChEMBL: SCHEMBL14137685
ref: mol2, SDF, SMILES, flexibase
3.96,10.16,-50.44,2,6,-1, 435.581, 11
lo: mol2, SDF, SMILES, flexibase
3.96,8.18,-14.01,3,6,0, 436.589, 11
38309997
 
#64

Molcan: simvastatin
PubChem: 11155240
SureChEMBL: SCHEMBL14137685
ref: mol2, SDF, SMILES, flexibase
3.96,9.6,-53.8,2,6,-1, 435.581, 11
lo: mol2, SDF, SMILES, flexibase
3.96,7.62,-16.11,3,6,0, 436.589, 11
67665374
 
#65

Molcan: simvastatin
SureChEMBL: SCHEMBL13406825, SCHEMBL13406808
ref: mol2, SDF, SMILES, flexibase
5.46,15.6,-11.51,0,6,0, 460.611, 9

Similar to: 44699355,
67665373
 
#66

Molcan: simvastatin
SureChEMBL: SCHEMBL13406808
ref: mol2, SDF, SMILES, flexibase
5.46,15.36,-14.41,0,6,0, 460.611, 9

Similar to: 44699355,
67665372
 
#67

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.52,11.01,-10.81,1,5,0, 416.558, 7

Similar to: 27983325, 27983332, 27983337, 27983343, ... 4 in total.
67665371
 
#68

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.52,11.19,-10.05,1,5,0, 416.558, 7

Similar to: 27983325, 27983332, 27983337, 27983343, ... 4 in total.
67665369
 
#69

Molcan: simvastatin
ref: mol2, SDF, SMILES, flexibase
4.52,11.13,-14.44,1,5,0, 416.558, 7

Similar to: 27983325, 27983332, 27983337, 27983343, ... 4 in total.
67665368
 
#70

Chembo Pharma: KB-241907
Molcan: sildenafil
Toronto Research Chemicals: C380005
PubChem: 11281339
ref: mol2, SDF, SMILES, flexibase
3.20,4.54,-14.25,1,8,0, 410.883, 6
mid: mol2, SDF, SMILES, flexibase
3.65,2.99,-50.76,0,8,-1, 409.875, 6

Similar to: 38453619, 38454866, 38472757,
33981196
 
#71

American Custom Chemicals Corp.: CHM0293824
Molcan: sildenafil
PubChem: 9839765, 53441730
SureChEMBL: SCHEMBL4264787
ref: mol2, SDF, SMILES, flexibase
1.29,1.96,-11.93,0,6,0, 312.391, 5
mid: mol2, SDF, SMILES, flexibase
1.29,4.32,-48.65,1,6,1, 313.399, 5
67665366
 
#72

Chembo Pharma: KB-207592
Molcan: rosuvastatin
PubChem: 11478210, 57349225
ref: mol2, SDF, SMILES, flexibase
3.61,10.57,-20.93,2,9,0, 537.654, 12
67665365
 
#73

Molcan: rosuvastatin
PubChem: 11214611
SureChEMBL: SCHEMBL1024067
ref: mol2, SDF, SMILES, flexibase
3.16,10.2,-21.86,2,9,0, 523.627, 12
67665364
 
#74

Molcan: rosuvastatin
ref: mol2, SDF, SMILES, flexibase
3.90,11.44,-63.16,0,7,-1, 444.508, 8

Similar to: 35792536,
67665362
 
#75

Molcan: rosuvastatin
ref: mol2, SDF, SMILES, flexibase
3.01,10.04,-58.62,1,8,-1, 462.523, 9
67665361
 
#76

BioSynth: Q-201798
Chembo Pharma: KB-204720
Molcan: rosuvastatin
Toronto Research Chemicals: F595400
PubChem: 53395082...8 total

ref: mol2, SDF, SMILES, flexibase
5.50,15.2,-16.45,0,9,0, 577.719, 10
67665360
 
#77

Molcan: rosuvastatin
Toronto Research Chemicals: O861990
PubChem: 68936391, 68956513
SureChEMBL: SCHEMBL4209321, SCHEMBL4159337
ref: mol2, SDF, SMILES, flexibase
1.93,10.83,-63.36,1,9,-1, 478.522, 10
21981361
 
#78

Molcan: rosiglitazone
Toronto Research Chemicals: H953440
Tractus: TRA0045424
HMDB Drug: HMDB60981
HMDB Drug Metabolites: HMDB60981...8 total

ref: mol2, SDF, SMILES, flexibase
2.30,4.49,-39.58,3,7,1, 374.442, 7
mid: mol2, SDF, SMILES, flexibase
2.30,5.19,-31.29,2,7,0, 373.434, 7
mid: mol2, SDF, SMILES, flexibase
2.30,4.2,-14.94,2,7,0, 373.434, 7
hi: mol2, SDF, SMILES, flexibase
2.30,5.15,-54.43,1,7,-1, 372.426, 7
21981363
 
#79

Molcan: rosiglitazone
Toronto Research Chemicals: H953440
Tractus: TRA0045424
HMDB Drug: HMDB60981
HMDB Drug Metabolites: HMDB60981...8 total

ref: mol2, SDF, SMILES, flexibase
2.30,4.44,-39.43,3,7,1, 374.442, 7
mid: mol2, SDF, SMILES, flexibase
2.30,5.16,-31.5,2,7,0, 373.434, 7
mid: mol2, SDF, SMILES, flexibase
2.30,4.16,-14.85,2,7,0, 373.434, 7
hi: mol2, SDF, SMILES, flexibase
2.30,5.15,-57,1,7,-1, 372.426, 7
67665357
 
#80

Molcan: risperidone
ref: mol2, SDF, SMILES, flexibase
5.15,18.41,-25.97,0,10,0, 659.734, 8
67665355
 
#81

Molcan: risperidone
Toronto Research Chemicals: R525025
ref: mol2, SDF, SMILES, flexibase
3.03,11.43,-24.55,0,8,0, 454.502, 5
67665354
 
#82

Molcan: risperidone
Toronto Research Chemicals: M326330
ref: mol2, SDF, SMILES, flexibase
3.32,12.88,-50.86,1,6,1, 425.528, 4
67665353
 
#83

Molcan: risperidone
Toronto Research Chemicals: M326330
ref: mol2, SDF, SMILES, flexibase
3.32,12.89,-50.84,1,6,1, 425.528, 4
67665351
 
#84

Molcan: ramipril
BOC Sciences BB (Depleted): 108731-95-9
HMDB Drug: HMDB60869
HMDB Drug Metabolites: HMDB60869
Human Metabolome Database: HMDB60869...8 total

ref: mol2, SDF, SMILES, flexibase
4.04,12.48,-15.63,0,6,0, 398.503, 7
67665350
 
#85

Molcan: ramipril
ref: mol2, SDF, SMILES, flexibase
4.04,12.58,-15.33,0,6,0, 398.503, 7
67665348
 
#86

Molcan: ramipril
ref: mol2, SDF, SMILES, flexibase
4.04,12.83,-12.06,0,6,0, 398.503, 7
67665347
 
#87

Molcan: ramipril
ref: mol2, SDF, SMILES, flexibase
4.04,12.31,-11.94,0,6,0, 398.503, 7
67665345
 
#88

Molcan: ramipril
IBM Patent Data: 136108293
PubChem: 67885037, 69468457, 15068009, 69462064
SureChEMBL: SCHEMBL5507010, SCHEMBL4609538, SCHEMBL9593567, SCHEMBL5492070
ref: mol2, SDF, SMILES, flexibase
3.09,11.04,-46.05,1,7,-1, 421.558, 10
mid: mol2, SDF, SMILES, flexibase
3.09,11.83,-23.99,2,7,0, 422.566, 10
38216512
 
#89

Molcan: ramipril
PubChem: 11669166
SureChEMBL: SCHEMBL14374271
ref: mol2, SDF, SMILES, flexibase
2.76,11.46,-47.35,1,7,-1, 429.537, 10
mid: mol2, SDF, SMILES, flexibase
2.76,12.53,-33.4,2,7,0, 430.545, 10

Similar to: 59834342, 59834344, 59834349, 59834355, ... 9 in total.
53007017
 
#90

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

67665342
 
#91

Molcan: rabeprazole
ref: mol2, SDF, SMILES, flexibase
1.56,10.38,-63.89,1,6,-1, 282.279, 2
lo: mol2, SDF, SMILES, flexibase
-1.19,10.65,-37.68,2,6,0, 283.287, 1
67665340
 
#92

AK Scientific: 7900AB
Ark Pharm Building Blocks: AK122655
Chembo Pharma: KB-219541
Molcan: propiverine
ref: mol2, SDF, SMILES, flexibase
3.71,12.96,-39.41,1,3,1, 344.862, 5
hi: mol2, SDF, SMILES, flexibase
3.71,10.58,-6.03,0,3,0, 343.854, 5
35813873
 
#93

Molcan: propiverine
PubChem: 11559429
SureChEMBL: SCHEMBL15392468
ref: mol2, SDF, SMILES, flexibase
2.75,11.33,-43.99,2,4,1, 354.47, 8
67665327
 
#94

Molcan: pravastatin
ref: mol2, SDF, SMILES, flexibase
2.64,6.65,-54.19,3,7,-1, 423.526, 11
lo: mol2, SDF, SMILES, flexibase
2.64,4.67,-15.03,4,7,0, 424.534, 11
26182770
 
#95

Molcan: pravastatin
BindingDB.org: 50006416
PubChem: 51347814, 44306810, 10363983
ref: mol2, SDF, SMILES, flexibase
2.95,7.25,-11.58,2,6,0, 406.519, 7

Similar to: 34234852, 34234856, 38628366, 38628368, 60254900, ... 12 in total.
67665325
 
#96

Molcan: pravastatin
ref: mol2, SDF, SMILES, flexibase
4.16,10.37,-15.05,1,5,0, 388.504, 7
67665324
 
#97

Molcan: pravastatin
ref: mol2, SDF, SMILES, flexibase
4.16,10.43,-18.09,1,5,0, 388.504, 7
67665323
 
#98

Molcan: pravastatin
ref: mol2, SDF, SMILES, flexibase
3.05,8.12,-49.93,2,6,-1, 405.511, 10
67665322
 
#99

Molcan: pravastatin
ref: mol2, SDF, SMILES, flexibase
3.05,8.18,-50.25,2,6,-1, 405.511, 10
67665320
 
#100

Molcan: pravastatin
ref: mol2, SDF, SMILES, flexibase
1.00,3.41,-56.62,4,8,-1, 439.525, 11
lo: mol2, SDF, SMILES, flexibase
1.00,0.56,-17.71,5,8,0, 440.533, 11

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 = 480 ) limit 0,100

Smiles were