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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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527887
 
#1

eMolecules: 1796456
Molport: MolPort-002-282-126
Scientific Exchange: X-039280
AKOS: AKOS000420249
ChemBridge: 7926977...22 total

ref: mol2, SDF, SMILES, flexibase
2.23,4.85,-16.42,3,6,0, 326.381, 5

Similar to: 1329410, 26103986,
8323753
 
#2

eMolecules: 2319957
Molport: MolPort-002-126-861
AKOS: AKOS003358843
ChemBridge: 7950436
Mcule: MCULE-2490303685...14 total

ref: mol2, SDF, SMILES, flexibase
2.65,7.3,-12.5,2,6,0, 401.392, 5
lo: mol2, SDF, SMILES, flexibase
2.66,7.59,-37.04,3,6,1, 402.4, 5
lo: mol2, SDF, SMILES, flexibase
2.83,8.08,-88.07,4,6,2, 403.408, 5

Similar to: 8323752, 2873172, 2873173,
2873173
 
#3

eMolecules: 2319957
Molport: MolPort-002-126-861
AKOS: AKOS003358843
ChemBridge: 7950436
Mcule: MCULE-2490303685...14 total

ref: mol2, SDF, SMILES, flexibase
2.65,-1.6,-14,2,6,0, 401.392, 5
lo: mol2, SDF, SMILES, flexibase
2.83,-1.55,-37.32,3,6,1, 402.4, 5

Similar to: 8323752, 8323753,
2873172
 
#4

eMolecules: 2319957
Molport: MolPort-002-126-861
AKOS: AKOS003358843
ChemBridge: 7950436
Mcule: MCULE-2490303685...14 total

ref: mol2, SDF, SMILES, flexibase
2.65,-1.59,-14,2,6,0, 401.392, 5
lo: mol2, SDF, SMILES, flexibase
2.83,-1.53,-37.44,3,6,1, 402.4, 5

Similar to: 8323752, 8323753,
8323752
 
#5

eMolecules: 2319957
Molport: MolPort-002-126-861
AKOS: AKOS003358843
ChemBridge: 7950436
Mcule: MCULE-2490303685...14 total

ref: mol2, SDF, SMILES, flexibase
2.65,7.3,-12.05,2,6,0, 401.392, 5
lo: mol2, SDF, SMILES, flexibase
2.66,7.59,-37.35,3,6,1, 402.4, 5
lo: mol2, SDF, SMILES, flexibase
2.83,8.07,-88.24,4,6,2, 403.408, 5

Similar to: 8323753, 2873172, 2873173,
4813531
 
#6

eMolecules: 2320107
Molport: MolPort-002-126-919
Scientific Exchange: F-026538
AKOS: AKOS003359417
ChemBridge: 7956218...15 total

ref: mol2, SDF, SMILES, flexibase
1.74,6.11,-10.85,1,7,0, 410.396, 4

Similar to: 4813532, 4813533, 4813534,
4813532
 
#7

eMolecules: 2320107
Molport: MolPort-002-126-919
Scientific Exchange: F-026538
AKOS: AKOS003359417
ChemBridge: 7956218...15 total

ref: mol2, SDF, SMILES, flexibase
1.74,5.15,-10.5,1,7,0, 410.396, 4

Similar to: 4813533, 4813534, 4813531,
4813533
 
#8

eMolecules: 2320107
Molport: MolPort-002-126-919
Scientific Exchange: F-026538
AKOS: AKOS003359417
ChemBridge: 7956218...15 total

ref: mol2, SDF, SMILES, flexibase
1.74,5.09,-10.54,1,7,0, 410.396, 4

Similar to: 4813534, 4813532, 4813531,
4813534
 
#9

eMolecules: 2320107
Molport: MolPort-002-126-919
Scientific Exchange: F-026538
AKOS: AKOS003359417
ChemBridge: 7956218...15 total

ref: mol2, SDF, SMILES, flexibase
1.74,6.1,-10.72,1,7,0, 410.396, 4

Similar to: 4813533, 4813532, 4813531,
34118519
 
#10

eMolecules: 2320301
Molport: MolPort-002-127-005
AKOS: AKOS003359630
ChemBridge: 7963898
Mcule: MCULE-8736013144...13 total

ref: mol2, SDF, SMILES, flexibase
2.60,6.37,-10.85,1,7,0, 423.439, 4

Similar to: 36182150, 4828764, 4828765,
36182150
 
#11

eMolecules: 2320301
Molport: MolPort-002-127-005
AKOS: AKOS003359630
ChemBridge: 7963898
Mcule: MCULE-8736013144...13 total

ref: mol2, SDF, SMILES, flexibase
2.60,5.62,-11.54,1,7,0, 423.439, 4

Similar to: 38163175, 38163176, 4828764, 4828765, 2877983, ... 7 in total.
38163176
 
#12

eMolecules: 2320301
Molport: MolPort-002-127-005
AKOS: AKOS003359630
ChemBridge: 7963898
Mcule: MCULE-8736013144...13 total

ref: mol2, SDF, SMILES, flexibase
2.60,5.63,-11.57,1,7,0, 423.439, 4

Similar to: 4828764, 4828765, 36182150,
38163175
 
#13

eMolecules: 2320301
Molport: MolPort-002-127-005
AKOS: AKOS003359630
ChemBridge: 7963898
Mcule: MCULE-8736013144...13 total

ref: mol2, SDF, SMILES, flexibase
2.60,6.33,-10.81,1,7,0, 423.439, 4

Similar to: 4828764, 4828765, 36182150,
5274341
 
#14

eMolecules: 25986408
Molport: MolPort-002-104-158
AKOS: AKOS001764928
IBScreen: STOCK6S-14361
Mcule: MCULE-1632235426...19 total

ref: mol2, SDF, SMILES, flexibase
3.16,-3.4,-9.78,3,5,0, 296.355, 3
9331212
 
#15

eMolecules: 1534665, 30406630
AKOS: AKOS000630953
IBScreen: STOCK5S-51300
Innovapharm: STT-00191389
Mcule: MCULE-7640082862...16 total

ref: mol2, SDF, SMILES, flexibase
1.60,4.8,-19.64,2,6,0, 322.727, 2
lo: mol2, SDF, SMILES, flexibase
1.78,5.06,-44.88,3,6,1, 323.735, 2

Similar to: 20734961, 20734964, 20736100, 20738539, 20738542, ... 5 in total.
9331216
 
#16

eMolecules: 1534665, 30406630
AKOS: AKOS000630953
IBScreen: STOCK5S-51300
Innovapharm: STT-00191389
Mcule: MCULE-7640082862...16 total

ref: mol2, SDF, SMILES, flexibase
1.60,4.78,-17.82,2,6,0, 322.727, 2
lo: mol2, SDF, SMILES, flexibase
1.78,5.03,-44.78,3,6,1, 323.735, 2

Similar to: 20734961, 20734964, 20736100, 20738539, 20738542, ... 5 in total.
5274340
 
#17

eMolecules: 25986445
Molport: MolPort-002-104-998
AKOS: AKOS001769645
Alinda: IBS-C0010980
ChemBridge: 9036364...20 total

ref: mol2, SDF, SMILES, flexibase
3.89,9.04,-10.45,3,5,0, 324.771, 3
hi: mol2, SDF, SMILES, flexibase
3.89,9.82,-49.56,2,5,-1, 323.763, 3
6697835
 
#18

eMolecules: 2286545
Molport: MolPort-002-105-430
AKOS: AKOS002321090
IBScreen: STOCK6S-90369
Innovapharm: STT-00283194...16 total

ref: mol2, SDF, SMILES, flexibase
3.68,-4.6,-9.11,3,5,0, 332.157, 2

Similar to: 39644084,
751749
 
#19

eMolecules: 2065465
Molport: MolPort-002-145-498
AKOS: AKOS001582758
ChemBridge: 5341232
Mcule: MCULE-2911873066...15 total

ref: mol2, SDF, SMILES, flexibase
3.61,7.36,-10.73,1,4,0, 265.316, 2
lo: mol2, SDF, SMILES, flexibase
3.15,8.42,-43.68,2,4,1, 266.324, 1

Similar to: 4239323, 39366868, 39366869,
8579897
 
#20

ChEMBL12: CHEMBL1340684
ChEMBL19: CHEMBL1340684
ChemBridge (Depleted): 5349423
ChemDB: 4284517
Collaborative Drug Discovery: 258278...8 total

ref: mol2, SDF, SMILES, flexibase
1.74,3.28,-10.98,1,5,0, 224.26, 2
hi: mol2, SDF, SMILES, flexibase
1.74,4.23,-47.19,0,5,-1, 223.252, 2
13124757
 
#21

eMolecules: 2024890
Molport: MolPort-002-264-068
AKOS: AKOS005403590
ChemBridge: 7723068
Mcule: MCULE-1672490423...14 total

ref: mol2, SDF, SMILES, flexibase
1.20,1.86,-24.08,3,5,0, 294.376, 4
mid: mol2, SDF, SMILES, flexibase
0.46,4.1,-47.72,2,5,-1, 293.368, 3
hi: mol2, SDF, SMILES, flexibase
1.20,2.78,-55.59,2,5,-1, 293.368, 4

Similar to: 574726, 574729, 574730, 574737, 574741, ... 9 in total.
4151547
 
#22

eMolecules: 25923041
Molport: MolPort-002-213-259
AKOS: AKOS000355299
ChemBridge: 6634438
ChemDiv: 6188-0258...19 total

ref: mol2, SDF, SMILES, flexibase
4.08,-2.14,-12.17,2,3,0, 277.323, 2
lo: mol2, SDF, SMILES, flexibase
4.08,-1.93,-30.17,3,3,1, 278.331, 2
307178
 
#23

eMolecules: 2179768
Molport: MolPort-002-088-593
AKOS: AKOS001656712
ChemBridge: 6930604
IBScreen: STOCK2S-52834...15 total

ref: mol2, SDF, SMILES, flexibase
3.49,4.41,-7.7,1,3,0, 261.174, 3
11936762
 
#24

PubChem: 45189115, 42291032
SMDC ChBr Premium: 706935
ref: mol2, SDF, SMILES, flexibase
0.65,-0.7,-16.36,1,6,0, 298.346, 5
mid: mol2, SDF, SMILES, flexibase
0.65,-0.42,-39.7,2,6,1, 299.354, 5
11936761
 
#25

PubChem: 45189115, 42291031
SMDC ChBr Premium: 706935
ref: mol2, SDF, SMILES, flexibase
0.65,-0.68,-16.25,1,6,0, 298.346, 5
mid: mol2, SDF, SMILES, flexibase
0.65,-0.4,-39.63,2,6,1, 299.354, 5
12468453
 
#26

eMolecules: 1058773
Molport: MolPort-001-814-298
AKOS: AKOS001672393
ChemBridge: 7195256
IBScreen: STOCK3S-74120...21 total

ref: mol2, SDF, SMILES, flexibase
3.07,7.45,-10.01,3,5,0, 264.288, 2

Similar to: 13130578, 17773, 268676,
11665044
 
#27

PubChem: 42098833, 45170024
SMDC ChBr Premium: 707059
ref: mol2, SDF, SMILES, flexibase
2.69,-3.53,-14.31,1,6,0, 362.48, 5

Similar to: 11665045,
11665045
 
#28

PubChem: 42098834, 45170024
SMDC ChBr Premium: 707059
ref: mol2, SDF, SMILES, flexibase
2.69,-3.78,-17.84,1,6,0, 362.48, 5

Similar to: 11665044,
12453937
 
#29

Collaborative Drug Discovery: 518632
PubChem: 25292570
SMDC ChBr Premium: 707235
ref: mol2, SDF, SMILES, flexibase
1.50,-1.93,-12.39,1,7,0, 308.345, 6
11816331
 
#30

Collaborative Drug Discovery: 477755
PubChem: 42193213, 45174948
SMDC ChBr Premium: 707442
ref: mol2, SDF, SMILES, flexibase
2.53,-2.89,-15.87,1,5,0, 351.431, 4

Similar to: 11816332, 53129962, 53129965,
11816332
 
#31

Collaborative Drug Discovery: 477755
PubChem: 42193214, 45174948
SMDC ChBr Premium: 707442
ref: mol2, SDF, SMILES, flexibase
2.53,-2.86,-14.2,1,5,0, 351.431, 4

Similar to: 53129962, 53129965, 11816331, 7690550, ... 4 in total.
15074295
 
#32

ChemBridge (Depleted): 95666215
Collaborative Drug Discovery: 575112
PubChem: 45250472, 26406610
SMDC ChBr Premium: 707538
ref: mol2, SDF, SMILES, flexibase
3.64,9.66,-12.3,1,4,0, 367.489, 7
15074294
 
#33

ChemBridge (Depleted): 95666215
Collaborative Drug Discovery: 575112
PubChem: 45250472, 26406609
SMDC ChBr Premium: 707538
ref: mol2, SDF, SMILES, flexibase
3.64,8.97,-12.16,1,4,0, 367.489, 7
23144945
 
#34

Collaborative Drug Discovery: 475027
PubChem: 45172218, 30868606
SMDC ChBr Premium: 707660
ref: mol2, SDF, SMILES, flexibase
0.93,2.88,-20.98,1,7,0, 368.437, 5
23144949
 
#35

Collaborative Drug Discovery: 475027
PubChem: 45172218, 30868611
SMDC ChBr Premium: 707660
ref: mol2, SDF, SMILES, flexibase
0.93,2.73,-19.8,1,7,0, 368.437, 5
14952051
 
#36

PubChem: 26316994
SMDC ChBr Premium: 707906
ref: mol2, SDF, SMILES, flexibase
3.78,4.73,-14.81,1,4,0, 300.745, 3
15078107
 
#37

Collaborative Drug Discovery: 577190
PubChem: 26410658
SMDC ChBr Premium: 707910
ref: mol2, SDF, SMILES, flexibase
0.62,8.84,-23.93,1,8,0, 400.479, 8
mid: mol2, SDF, SMILES, flexibase
0.62,9.3,-47.04,2,8,1, 401.487, 8
12448436
 
#38

eMolecules: 36434476
Molport: MolPort-005-065-643
ChemBridge: 36781654
Mcule: MCULE-2273862462
Collaborative Drug Discovery: 510838...9 total

ref: mol2, SDF, SMILES, flexibase
1.41,8.57,-29.51,1,9,0, 406.446, 6
lo: mol2, SDF, SMILES, flexibase
1.41,9.23,-54.41,2,9,1, 407.454, 6
23145742
 
#39

PubChem: 30869425, 45174648
SMDC ChBr Premium: 707951
ref: mol2, SDF, SMILES, flexibase
2.01,4.1,-14.83,2,5,0, 310.438, 5
23145745
 
#40

PubChem: 30869428, 45174648
SMDC ChBr Premium: 707951
ref: mol2, SDF, SMILES, flexibase
2.01,4.02,-15.3,2,5,0, 310.438, 5
23214193
 
#41

Collaborative Drug Discovery: 495787
SMDC ChBr Premium: 707966
ref: mol2, SDF, SMILES, flexibase
3.06,7.52,-7.9,0,5,0, 284.363, 2
lo: mol2, SDF, SMILES, flexibase
3.06,7.61,-25.97,1,5,1, 285.371, 2
12454845
 
#42

Collaborative Drug Discovery: 518944
PubChem: 25293564
SMDC ChBr Premium: 708224
ref: mol2, SDF, SMILES, flexibase
2.92,-4.59,-12.17,1,4,0, 345.892, 6
19939462
 
#43

Collaborative Drug Discovery: 547779
PubChem: 45230611, 28464678
SMDC ChBr Premium: 708162
ref: mol2, SDF, SMILES, flexibase
3.60,7.24,-17.79,1,7,0, 390.509, 5
hi: mol2, SDF, SMILES, flexibase
3.23,6.43,-46.78,0,7,-1, 389.501, 6

Similar to: 19939463,
19939463
 
#44

Collaborative Drug Discovery: 547779
PubChem: 45230611, 28464679
SMDC ChBr Premium: 708162
ref: mol2, SDF, SMILES, flexibase
3.60,7.28,-17.66,1,7,0, 390.509, 5
hi: mol2, SDF, SMILES, flexibase
3.23,6.44,-46.72,0,7,-1, 389.501, 6

Similar to: 19939462,
12438546
 
#45

PubChem: 25278340, 45198975
SMDC ChBr Premium: 708266
ref: mol2, SDF, SMILES, flexibase
1.80,0.15,-18.81,1,6,0, 355.419, 3

Similar to: 12438547,
12438547
 
#46

PubChem: 25278341, 45198975
SMDC ChBr Premium: 708266
ref: mol2, SDF, SMILES, flexibase
1.80,0.58,-18.82,1,6,0, 355.419, 3

Similar to: 12438546,
12753422
 
#47

PubChem: 45205435
SMDC ChBr Premium: 708193
ref: mol2, SDF, SMILES, flexibase
1.68,7.71,-15.6,0,4,0, 322.355, 2
12753418
 
#48

PubChem: 45205435
SMDC ChBr Premium: 708193
ref: mol2, SDF, SMILES, flexibase
1.68,8.02,-17.3,0,4,0, 322.355, 2
12594010
 
#49

PubChem: 25382681
SMDC ChBr Premium: 708589
ref: mol2, SDF, SMILES, flexibase
2.10,5.37,-10.38,0,7,0, 323.736, 4
12445177
 
#50

eMolecules: 36434010
Molport: MolPort-005-063-802
Mcule: MCULE-3348421713
ChemBridge (Depleted): 35914467
Collaborative Drug Discovery: 509663...9 total

ref: mol2, SDF, SMILES, flexibase
1.97,5.93,-19.42,0,7,0, 381.461, 6
mid: mol2, SDF, SMILES, flexibase
1.97,6.36,-34.17,1,7,1, 382.469, 6
20999650
 
#51

Collaborative Drug Discovery: 516351
PubChem: 25287637
SMDC ChBr Premium: 708617
ref: mol2, SDF, SMILES, flexibase
3.13,6.27,-16.21,2,5,0, 332.354, 6
mid: mol2, SDF, SMILES, flexibase
3.13,7.33,-60.02,3,5,1, 333.362, 6

Similar to: 12447563,
12315004
 
#52

Collaborative Drug Discovery: 517462
PubChem: 42526905, 45208313
SMDC ChBr Premium: 708802
ref: mol2, SDF, SMILES, flexibase
2.20,0.94,-13.45,0,6,0, 355.475, 7
12315005
 
#53

Collaborative Drug Discovery: 517462
PubChem: 42526906, 45208313
SMDC ChBr Premium: 708802
ref: mol2, SDF, SMILES, flexibase
2.20,0.93,-13.26,0,6,0, 355.475, 7
20515100
 
#54

eMolecules: 36457969
Molport: MolPort-005-139-967
ChemBridge: 80682127
Mcule: MCULE-1891866173
PubChem: 45240274...9 total

ref: mol2, SDF, SMILES, flexibase
3.33,4.51,-8.56,2,4,0, 319.788, 4
hi: mol2, SDF, SMILES, flexibase
3.33,5.31,-46.53,1,4,-1, 318.78, 4
20515096
 
#55

eMolecules: 36457969
Molport: MolPort-005-139-967
ChemBridge: 80682127
Mcule: MCULE-1891866173
PubChem: 45240274...9 total

ref: mol2, SDF, SMILES, flexibase
3.33,4.49,-8.87,2,4,0, 319.788, 4
hi: mol2, SDF, SMILES, flexibase
3.33,5.29,-47.01,1,4,-1, 318.78, 4
11957975
 
#56

Collaborative Drug Discovery: 561044
PubChem: 42311402
SMDC ChBr Premium: 709056
ref: mol2, SDF, SMILES, flexibase
1.90,-1.71,-12.84,1,9,0, 342.407, 5
23506468
 
#57

Collaborative Drug Discovery: 562051
PubChem: 31162185
SMDC ChBr Premium: 709145
ref: mol2, SDF, SMILES, flexibase
1.28,3.37,-6.26,0,4,0, 227.333, 4
15062118
 
#58

eMolecules: 43208215
Molport: MolPort-005-149-815
Mcule: MCULE-1027636258
ChemBridge (Depleted): 87895435
PubChem: 26390950...9 total

ref: mol2, SDF, SMILES, flexibase
3.31,9.25,-10.36,0,4,0, 315.413, 5
15062120
 
#59

eMolecules: 43208215
Molport: MolPort-005-149-815
Mcule: MCULE-1027636258
ChemBridge (Depleted): 87895435
PubChem: 26390951...9 total

ref: mol2, SDF, SMILES, flexibase
3.31,9.25,-10.58,0,4,0, 315.413, 5
23128496
 
#60

Collaborative Drug Discovery: 470972
PubChem: 30851811, 42094396
SMDC ChBr Premium: 709434
ref: mol2, SDF, SMILES, flexibase
1.17,4.25,-10.81,1,8,0, 343.387, 6

Similar to: 11661381,
11820340
 
#61

Collaborative Drug Discovery: 564700
PubChem: 45242891, 42197573
SMDC ChBr Premium: 709380
ref: mol2, SDF, SMILES, flexibase
2.02,8.02,-19.05,2,5,0, 349.434, 4

Similar to: 11820341,
11820341
 
#62

Collaborative Drug Discovery: 564700
PubChem: 45242891, 42197574
SMDC ChBr Premium: 709380
ref: mol2, SDF, SMILES, flexibase
2.02,8.15,-15.65,2,5,0, 349.434, 4

Similar to: 11820340,
15074389
 
#63

Collaborative Drug Discovery: 575189
PubChem: 26406750, 45250538
SMDC ChBr Premium: 709668
ref: mol2, SDF, SMILES, flexibase
3.26,7.46,-16.91,1,6,0, 333.395, 5
15074390
 
#64

Collaborative Drug Discovery: 575189
PubChem: 26406752, 45250538
SMDC ChBr Premium: 709668
ref: mol2, SDF, SMILES, flexibase
3.26,7.33,-15.36,1,6,0, 333.395, 5
15063920
 
#65

eMolecules: 36611334
Molport: MolPort-005-151-364
ChemBridge: 89032461
Mcule: MCULE-7778891473
PubChem: 26392838...9 total

ref: mol2, SDF, SMILES, flexibase
3.03,8.93,-10.86,0,5,0, 320.396, 4
15063921
 
#66

eMolecules: 36611334
Molport: MolPort-005-151-364
ChemBridge: 89032461
Mcule: MCULE-7778891473
PubChem: 26392839...9 total

ref: mol2, SDF, SMILES, flexibase
3.03,8.52,-10.48,0,5,0, 320.396, 4
23581349
 
#67

eMolecules: 36464375
Molport: MolPort-005-157-113
ChemBridge: 93296293
Mcule: MCULE-5050989824
Collaborative Drug Discovery: 572926...10 total

ref: mol2, SDF, SMILES, flexibase
1.83,4.9,-18.5,1,6,0, 308.378, 6

Similar to: 23581347,
23581347
 
#68

eMolecules: 36464375
Molport: MolPort-005-157-113
ChemBridge: 93296293
Mcule: MCULE-5050989824
Collaborative Drug Discovery: 572926...10 total

ref: mol2, SDF, SMILES, flexibase
1.83,4.9,-18.5,1,6,0, 308.378, 6

Similar to: 23581349,
12590490
 
#69

PubChem: 25379339
SMDC ChBr Premium: 710196
ref: mol2, SDF, SMILES, flexibase
2.62,9.28,-9.22,0,6,0, 328.416, 6
12591254
 
#70

PubChem: 25379987
SMDC ChBr Premium: 710198
ref: mol2, SDF, SMILES, flexibase
1.02,6.98,-13.21,1,8,0, 352.398, 6
12459607
 
#71

Collaborative Drug Discovery: 521268
PubChem: 25298914
SMDC ChBr Premium: 710523
ref: mol2, SDF, SMILES, flexibase
1.92,-3.43,-18.84,0,7,0, 379.445, 6

Similar to: 30930940, 30930942,
12299403
 
#72

Collaborative Drug Discovery: 529993
PubChem: 42510441, 45217680
SMDC ChBr Premium: 710627
ref: mol2, SDF, SMILES, flexibase
1.75,-1.59,-15.59,1,8,0, 390.465, 6
12299402
 
#73

Collaborative Drug Discovery: 529993
PubChem: 42510440, 45217680
SMDC ChBr Premium: 710627
ref: mol2, SDF, SMILES, flexibase
1.75,-1.63,-14.24,1,8,0, 390.465, 6
20779769
 
#74

Collaborative Drug Discovery: 502594
PubChem: 25274110
SMDC ChBr Premium: 710800
ref: mol2, SDF, SMILES, flexibase
3.49,6.92,-12.03,2,4,0, 342.393, 6
mid: mol2, SDF, SMILES, flexibase
3.48,8.35,-43.83,3,4,1, 343.401, 6
lo: mol2, SDF, SMILES, flexibase
3.49,7.3,-30.75,3,4,1, 343.401, 6

Similar to: 20779765, 12434027, 12434028,
20779765
 
#75

Collaborative Drug Discovery: 502594
PubChem: 25274108
SMDC ChBr Premium: 710800
ref: mol2, SDF, SMILES, flexibase
3.49,7.37,-12.14,2,4,0, 342.393, 6
mid: mol2, SDF, SMILES, flexibase
3.48,8.43,-42.66,3,4,1, 343.401, 6
lo: mol2, SDF, SMILES, flexibase
3.49,7.74,-33.43,3,4,1, 343.401, 6

Similar to: 20779769, 12434027, 12434028,
15073774
 
#76

eMolecules: 36614978
Molport: MolPort-005-159-616
ChemBridge: 95161315
Collaborative Drug Discovery: 574668
PubChem: 26405897...8 total

ref: mol2, SDF, SMILES, flexibase
1.45,8.21,-15.46,1,8,0, 414.469, 6
23191816
 
#77

PubChem: 30897281, 45186682
SMDC ChBr Premium: 711088
ref: mol2, SDF, SMILES, flexibase
0.54,5.79,-14.82,1,8,0, 338.371, 4
23191820
 
#78

PubChem: 30897284, 45186682
SMDC ChBr Premium: 711088
ref: mol2, SDF, SMILES, flexibase
0.54,5.79,-14.89,1,8,0, 338.371, 4
12760336
 
#79

PubChem: 45206373, 25490333
SMDC ChBr Premium: 711059
ref: mol2, SDF, SMILES, flexibase
1.28,6.5,-16.57,1,6,0, 350.422, 5
12760332
 
#80

PubChem: 45206373, 25490329
SMDC ChBr Premium: 711059
ref: mol2, SDF, SMILES, flexibase
1.28,6.51,-16.33,1,6,0, 350.422, 5
12582713
 
#81

PubChem: 45212489, 25373379
SMDC ChBr Premium: 711064
ref: mol2, SDF, SMILES, flexibase
0.70,4.24,-15.53,1,6,0, 314.32, 4

Similar to: 12582705,
12582705
 
#82

PubChem: 45212489, 25373373
SMDC ChBr Premium: 711064
ref: mol2, SDF, SMILES, flexibase
0.70,4.25,-16.09,1,6,0, 314.32, 4

Similar to: 12582713,
11708626
 
#83

Collaborative Drug Discovery: 472959
PubChem: 42117058
SMDC ChBr Premium: 710991
ref: mol2, SDF, SMILES, flexibase
2.40,8.99,-10.83,0,6,0, 310.357, 2
12305355
 
#84

PubChem: 42518130
SMDC ChBr Premium: 711241
ref: mol2, SDF, SMILES, flexibase
2.40,7.31,-11.7,1,6,0, 342.355, 4
14948445
 
#85

eMolecules: 26013789
Molport: MolPort-005-113-413
ChemBridge: 63062187
Collaborative Drug Discovery: 542832
SMDC ChBr Premium: 711468...5 total

ref: mol2, SDF, SMILES, flexibase
1.76,9.23,-20.79,0,7,0, 393.422, 3
12439306
 
#86

Collaborative Drug Discovery: 505898
PubChem: 25279288
SMDC ChBr Premium: 711539
ref: mol2, SDF, SMILES, flexibase
2.56,-1,-15.42,0,6,0, 364.43, 3
19812145
 
#87

Collaborative Drug Discovery: 544461
SMDC ChBr Premium: 711698
ref: mol2, SDF, SMILES, flexibase
2.95,8.5,-14.5,2,5,0, 372.472, 5
12004836
 
#88

PubChem: 45182273, 42348923
SMDC ChBr Premium: 711856
ref: mol2, SDF, SMILES, flexibase
0.40,1.39,-21.68,1,7,0, 358.352, 4

Similar to: 12004832,
12004832
 
#89

PubChem: 45182273, 42348921
SMDC ChBr Premium: 711856
ref: mol2, SDF, SMILES, flexibase
0.40,1.39,-20.69,1,7,0, 358.352, 4

Similar to: 12004836,
11820148
 
#90

Collaborative Drug Discovery: 563201
PubChem: 42197394, 45241823
SMDC ChBr Premium: 712211
ref: mol2, SDF, SMILES, flexibase
3.31,-1.13,-13.16,1,6,0, 356.451, 4

Similar to: 11820149,
11820149
 
#91

Collaborative Drug Discovery: 563201
PubChem: 42197395, 45241823
SMDC ChBr Premium: 712211
ref: mol2, SDF, SMILES, flexibase
3.31,-1.21,-13.16,1,6,0, 356.451, 4

Similar to: 11820148,
14956421
 
#92

Collaborative Drug Discovery: 545085
PubChem: 26319507, 26319506
SMDC ChBr Premium: 712527
ref: mol2, SDF, SMILES, flexibase
2.73,3.26,-14.41,0,6,0, 318.402, 5
20500958
 
#93

PubChem: 28989450, 45239662
SMDC ChBr Premium: 712778
ref: mol2, SDF, SMILES, flexibase
1.69,6.55,-13.98,1,6,0, 343.427, 7
20500960
 
#94

PubChem: 28989451, 45239662
SMDC ChBr Premium: 712778
ref: mol2, SDF, SMILES, flexibase
1.69,6.58,-13.8,1,6,0, 343.427, 7
19842501
 
#95

Collaborative Drug Discovery: 484312
SMDC ChBr Premium: 713079
ref: mol2, SDF, SMILES, flexibase
2.98,7.11,-15.26,2,6,0, 396.535, 7
15074810
 
#96

Collaborative Drug Discovery: 575551
PubChem: 26407360
SMDC ChBr Premium: 713750
ref: mol2, SDF, SMILES, flexibase
1.56,8.92,-12.16,0,5,0, 301.35, 4
23158521
 
#97

eMolecules: 36568625
Molport: MolPort-005-023-602
ChemBridge (Depleted): 18956563
Collaborative Drug Discovery: 485000
PubChem: 30881466...7 total

ref: mol2, SDF, SMILES, flexibase
3.40,8.92,-11.68,0,3,0, 261.328, 4
lo: mol2, SDF, SMILES, flexibase
3.40,9.37,-37.26,1,3,1, 262.336, 4
43641619
 
#98

eMolecules: 26021291
SMDC ChBr Premium: 714278
ref: mol2, SDF, SMILES, flexibase
1.12,8.42,-38.77,0,7,0, 376.416, 2

Similar to: 8479343, 8480867, 8488517, 8489553, ... 4 in total.
20540035
 
#99

PubChem: 29027665
SMDC ChBr Premium: 714203
ref: mol2, SDF, SMILES, flexibase
0.88,8.79,-24.64,1,8,0, 379.399, 5
23312103
 
#100

Collaborative Drug Discovery: 515306
PubChem: 31005319
SMDC ChBr Premium: 714285
ref: mol2, SDF, SMILES, flexibase
2.39,6.32,-16.28,1,8,0, 385.468, 4
mid: mol2, SDF, SMILES, flexibase
2.39,6.72,-51.99,2,8,1, 386.476, 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 = 571 ) limit 0,100

Smiles were