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Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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32910424
 
#1

AKOS: AKOS007932713
Mcule: MCULE-5509194979
UORSY: PB14863003
ChEMBL12: CHEMBL1456333
ChEMBL19: CHEMBL1456333...8 total

ref: mol2, SDF, SMILES, flexibase
2.52,7.42,-14.02,2,8,0, 376.409, 11

Similar to: 42730987, 4244622, 4244623,
32910423
 
#2

AKOS: AKOS007932713
Mcule: MCULE-5509194979
UORSY: PB14863003
ChEMBL12: CHEMBL1456333
ChEMBL19: CHEMBL1456333...8 total

ref: mol2, SDF, SMILES, flexibase
2.52,7.45,-13.74,2,8,0, 376.409, 11

Similar to: 42730987, 4244622, 4244623, 8008850, 8008851, ... 5 in total.
7781068
 
#3

eMolecules: 13399451
Molport: MolPort-003-281-779
AKOS: AKOS001210741
Enamine: Z52342107
Mcule: MCULE-2207625262...12 total

ref: mol2, SDF, SMILES, flexibase
4.27,7.9,-16.87,0,6,0, 395.846, 6
857567
 
#4

eMolecules: 1331597
Molport: MolPort-001-520-650
Scientific Exchange (make on demand): E-027226
AKOS: AKOS000642215
Asinex: BAS01354952...20 total

ref: mol2, SDF, SMILES, flexibase
3.47,11.68,-17.84,0,5,0, 357.365, 3

Similar to: 6283474,
3359484
 
#5

eMolecules: 3334253
Molport: MolPort-002-950-945
AKOS: AKOS000367520
Enamine: Z19507663
Mcule: MCULE-8706286803...19 total

ref: mol2, SDF, SMILES, flexibase
2.61,2.49,-12.22,1,6,0, 332.41, 5

Similar to: 6223610, 6357578, 6504980, 33726131, 33732849, ... 6 in total.
8430061
 
#6

eMolecules: 8206901
Specs: AE-848/42024696
ChEMBL12: CHEMBL1456327
ChEMBL19: CHEMBL1456327
ChemDB: 6159266...6 total

ref: mol2, SDF, SMILES, flexibase
5.15,-1.85,-17.52,2,9,0, 566.724, 12

Similar to: 33851756,
3377325
 
#7

BindingDB.org: 95042
ChEMBL12: CHEMBL1454608
ChEMBL19: CHEMBL1454608
ChemDB: 5597706
Collaborative Drug Discovery: 212528...8 total

ref: mol2, SDF, SMILES, flexibase
2.76,5.13,-9.65,2,5,0, 303.387, 4
lo: mol2, SDF, SMILES, flexibase
2.76,5.5,-34.51,3,5,1, 304.395, 4
lo: mol2, SDF, SMILES, flexibase
2.94,2.79,-30.46,3,5,1, 304.395, 4

Similar to: 6671156, 6671157, 7274420, 8298135, ... 5 in total.
3377323
 
#8

BindingDB.org: 95042
ChEMBL12: CHEMBL1454608
ChEMBL19: CHEMBL1454608
ChemDB: 5597706
Collaborative Drug Discovery: 212528...8 total

ref: mol2, SDF, SMILES, flexibase
2.76,5.13,-9.65,2,5,0, 303.387, 4
lo: mol2, SDF, SMILES, flexibase
2.76,5.49,-34.52,3,5,1, 304.395, 4
lo: mol2, SDF, SMILES, flexibase
2.94,2.78,-30.46,3,5,1, 304.395, 4

Similar to: 3377325, 4826779, 6671156, 6671157, 7274420, ... 6 in total.
8595394
 
#9

eMolecules: 16004900
Molport: MolPort-007-627-991
AKOS: AKOS001792694
ChemDiv: C387-1118
Mcule: MCULE-2323317808...10 total

ref: mol2, SDF, SMILES, flexibase
6.73,14.32,-17.48,2,6,0, 483.612, 10

Similar to: 9680768,
3231155
 
#10

AKOS: AKOS001037001
Mcule: MCULE-8204028396
UORSY: PB27766279
ChEMBL12: CHEMBL1454606
ChEMBL19: CHEMBL1454606...10 total

ref: mol2, SDF, SMILES, flexibase
3.15,8.78,-12.06,0,4,0, 289.766, 2

Similar to: 6455506, 15706538, 25517096, 25517100, 25801929, ... 5 in total.
9346089
 
#11

eMolecules: 4663816
AKOS: AKOS002210157
Enamine: Z1213666646
IBScreen: STOCK5S-23528
Innovapharm: STT-00149256...19 total

ref: mol2, SDF, SMILES, flexibase
3.19,9.26,-16.89,0,5,0, 480.355, 4

Similar to: 40114836, 40114838, 40114863, 40114865, ... 4 in total.
9346087
 
#12

eMolecules: 4663816
AKOS: AKOS002210157
Enamine: Z1213666646
IBScreen: STOCK5S-23528
Innovapharm: STT-00149256...19 total

ref: mol2, SDF, SMILES, flexibase
3.19,9.26,-16.21,0,5,0, 480.355, 4

Similar to: 40114836, 40114838, 40114863, 40114865, ... 4 in total.
4388668
 
#13

ChEMBL12: CHEMBL1454603
ChEMBL19: CHEMBL1454603
ChemDB: 3952725
Collaborative Drug Discovery: 204290
PubChem: 651906...5 total

ref: mol2, SDF, SMILES, flexibase
3.29,9.42,-17.98,1,5,0, 319.364, 3
4102648
 
#14

eMolecules: 4380954
Molport: MolPort-002-542-277
AKOS: AKOS005623560
IBScreen: STOCK1S-20846
Mcule: MCULE-3949634035...12 total

ref: mol2, SDF, SMILES, flexibase
0.65,5.34,-12,3,4,0, 246.339, 1
4765556
 
#15

eMolecules: 15957061
Molport: MolPort-007-593-839
AKOS: AKOS001751767
ChemDiv: C184-0173
Mcule: MCULE-8555523403...9 total

ref: mol2, SDF, SMILES, flexibase
4.08,11.36,-22.91,1,6,0, 479.989, 6
4034450
 
#16

eMolecules: 6690175
AKOS: AKOS001797698
ChemDiv: C226-0992
Mcule: MCULE-5020227003
Princeton BioMolecular Research: OSSL_773188...13 total

ref: mol2, SDF, SMILES, flexibase
4.47,7.58,-9.2,1,5,0, 409.186, 4
3959863
 
#17

Molport: MolPort-019-305-436
AKOS: AKOS001764222
ChemDiv: C137-2259
ChEMBL12: CHEMBL1454477
ChEMBL19: CHEMBL1454477...8 total

ref: mol2, SDF, SMILES, flexibase
2.64,7.13,-21.2,1,6,0, 431.352, 8

Similar to: 4759066, 4759067, 4759069, 15890452, ... 9 in total.
153416
 
#18

AKOS: AKOS005105193
Apollo Scientific: PC9320
Chembo Pharma: KB-93270
KeyOrganics: 9K-015
Labotest: LT03497355...21 total

ref: mol2, SDF, SMILES, flexibase
5.07,12.19,-12.32,0,2,0, 333.337, 4
153415
 
#19

AKOS: AKOS005105193
Apollo Scientific: PC9320
Chembo Pharma: KB-93270
KeyOrganics: 9K-015
Labotest: LT03497355...21 total

ref: mol2, SDF, SMILES, flexibase
5.07,12.18,-15.29,0,2,0, 333.337, 4
7813740
 
#20

Enamine-REAL: Z19252577
ChEMBL12: CHEMBL1454475
ChEMBL19: CHEMBL1454475
Collaborative Drug Discovery: 298594
PubChem: 9551992...5 total

ref: mol2, SDF, SMILES, flexibase
-0.51,2.94,-21.5,4,8,0, 272.334, 5
4001723
 
#21

ChEMBL12: CHEMBL1454473
ChEMBL19: CHEMBL1454473
ChemDB: 5508317
Collaborative Drug Discovery: 203963
PubChem: 2999922...5 total

ref: mol2, SDF, SMILES, flexibase
2.69,2.06,-15.39,1,7,0, 357.391, 6

Similar to: 32091060,
3052602
 
#22

Molport: MolPort-002-867-669
KeyOrganics: 4F-377S
Mcule: MCULE-8570006790
ChEMBL12: CHEMBL1454368
ChEMBL19: CHEMBL1454368...10 total

ref: mol2, SDF, SMILES, flexibase
3.51,8.79,-10.87,0,5,0, 293.754, 7
2072715
 
#23

eMolecules: 8205464
Molport: MolPort-002-802-529
Mcule: MCULE-5807900820
Ryan Scientific (Depleted): 002-30603
Specs: AE-848/33607033...13 total

ref: mol2, SDF, SMILES, flexibase
2.52,4.85,-18.48,1,5,0, 305.355, 4
8694343
 
#24

eMolecules: 4499195
Princeton BioMolecular Research: OSSK_389783
Toslab: 99415
Vitas-M: STK096062
ChEMBL12: CHEMBL1454265...9 total

ref: mol2, SDF, SMILES, flexibase
3.16,6.2,-19.33,4,10,0, 531.594, 10

Similar to: 8694342,
8694342
 
#25

eMolecules: 4499195
Princeton BioMolecular Research: OSSK_389783
Toslab: 99415
Vitas-M: STK096062
ChEMBL12: CHEMBL1454265...9 total

ref: mol2, SDF, SMILES, flexibase
3.16,6.16,-19.16,4,10,0, 531.594, 10

Similar to: 8694343,
614265
 
#26

Scientific Exchange (make on demand): M-229104
Chemstep: 38959
BindingDB.org: 42772
ChEMBL12: CHEMBL1454264
ChEMBL19: CHEMBL1454264...11 total

ref: mol2, SDF, SMILES, flexibase
0.65,1.6,-11.03,2,6,0, 260.249, 2
hi: mol2, SDF, SMILES, flexibase
1.11,-1.01,-44.94,1,6,-1, 259.241, 2

Similar to: 614266,
614266
 
#27

Scientific Exchange (make on demand): M-229104
Chemstep: 38959
BindingDB.org: 42772
ChEMBL12: CHEMBL1454264
ChEMBL19: CHEMBL1454264...11 total

ref: mol2, SDF, SMILES, flexibase
0.65,-3.45,-11.08,2,6,0, 260.249, 2

Similar to: 614265,
319236
 
#28

eMolecules: 1357853
Molport: MolPort-001-970-007
ChemBridge: 6575030
Mcule: MCULE-5128060375
BindingDB.org: 66561...13 total

ref: mol2, SDF, SMILES, flexibase
4.06,8.2,-11.67,1,3,0, 287.334, 5

Similar to: 7652813, 31483335,
4092360
 
#29

AKOS: AKOS000750193
Asinex: ASN08733119
Mcule: MCULE-9978040961
TimTec: ST50390825
ChEMBL12: CHEMBL1454259...12 total

ref: mol2, SDF, SMILES, flexibase
1.70,10.27,-23.64,0,9,0, 481.578, 6
lo: mol2, SDF, SMILES, flexibase
1.70,10.72,-47.04,1,9,1, 482.586, 6
1871030
 
#30

Mcule: MCULE-3212367348
Innovapharm BB Make on Demand: BBV-00019311
Asinex (Depleted): BAS05170298
ChEMBL12: CHEMBL1454258
ChEMBL19: CHEMBL1454258...9 total

ref: mol2, SDF, SMILES, flexibase
1.31,7.64,-16.47,2,4,0, 287.388, 4
mid: mol2, SDF, SMILES, flexibase
3.95,6.91,-55.65,2,4,-1, 286.38, 4

Similar to: 8733309, 26507668, 35479238, 39963119, ... 4 in total.
2908264
 
#31

eMolecules: 6679131
Molport: MolPort-007-713-272
AKOS: AKOS001544831
Mcule: MCULE-3836293472
AKOS BB (make-on-demand): AKOS001544831...12 total

ref: mol2, SDF, SMILES, flexibase
3.76,10.18,-10.17,1,6,0, 341.411, 4

Similar to: 25082420, 25082426, 42754311, 42754313, ... 4 in total.
2908266
 
#32

eMolecules: 6679131
Molport: MolPort-007-713-272
AKOS: AKOS001544831
Mcule: MCULE-3836293472
AKOS BB (make-on-demand): AKOS001544831...12 total

ref: mol2, SDF, SMILES, flexibase
3.76,10.15,-10.11,1,6,0, 341.411, 4

Similar to: 25082420, 25082426, 42754311, 42754313, ... 4 in total.
13813980
 
#33

ChEMBL12: CHEMBL1454161
ChEMBL19: CHEMBL1454161
Kansas: 171572510
PubChem: 6540169
SureChEMBL: SCHEMBL14847269...5 total

ref: mol2, SDF, SMILES, flexibase
6.71,14.36,-8.5,0,2,0, 340.422, 2

Similar to: 32257169,
4557012
 
#34

AKOS: AKOS001046004
Aldrich CPR: PH004676|ALDRICH
Maybridge Hit Finder: BTB13781
Mcule: MCULE-4857540814
Molport BB: MolPort-003-922-550...18 total

ref: mol2, SDF, SMILES, flexibase
5.47,14.53,-13.98,0,8,0, 476.481, 11

Similar to: 4897027, 4897028, 4897029, 4897030, 6996060, ... 30 in total.
4557011
 
#35

AKOS: AKOS001046004
Aldrich CPR: PH004676|ALDRICH
Maybridge Hit Finder: BTB13781
Mcule: MCULE-4857540814
Molport BB: MolPort-003-922-550...19 total

ref: mol2, SDF, SMILES, flexibase
5.47,14.11,-15.98,0,8,0, 476.481, 11

Similar to: 4557012, 4897027, 4897028, 4897029, 4897030, ... 32 in total.
4557010
 
#36

AKOS: AKOS001046004
Aldrich CPR: PH004676|ALDRICH
Maybridge Hit Finder: BTB13781
Mcule: MCULE-4857540814
Molport BB: MolPort-003-922-550...20 total

ref: mol2, SDF, SMILES, flexibase
5.47,14.51,-15.02,0,8,0, 476.481, 11

Similar to: 4557011, 4557012, 4897027, 4897028, 4897029, ... 31 in total.
4557009
 
#37

AKOS: AKOS001046004
Aldrich CPR: PH004676|ALDRICH
Maybridge Hit Finder: BTB13781
Mcule: MCULE-4857540814
Molport BB: MolPort-003-922-550...21 total

ref: mol2, SDF, SMILES, flexibase
5.47,14.79,-16.07,0,8,0, 476.481, 11

Similar to: 4557010, 4557011, 4557012, 4897027, 4897028, ... 26 in total.
35930645
 
#38

eMolecules: 4396977
Molport: MolPort-002-549-728
AKOS: AKOS005460296
IBScreen: STOCK1S-57739
Mcule: MCULE-5379152767...14 total

ref: mol2, SDF, SMILES, flexibase
3.54,7.63,-13.72,2,7,0, 407.47, 7
4248199
 
#39

eMolecules: 3513547
Molport: MolPort-003-073-909
Enamine: Z108564102
Mcule: MCULE-5539114081
ChEMBL12: CHEMBL1454158...13 total

ref: mol2, SDF, SMILES, flexibase
3.87,6.14,-15.46,1,5,0, 384.482, 4

Similar to: 4248198,
4248198
 
#40

eMolecules: 3513547
Molport: MolPort-003-073-909
Enamine: Z108564102
Mcule: MCULE-5539114081
ChEMBL12: CHEMBL1454158...13 total

ref: mol2, SDF, SMILES, flexibase
3.87,5.62,-13.4,1,5,0, 384.482, 4

Similar to: 4248199,
18250353
 
#41

eMolecules: 1263904
Scientific Exchange (make on demand): Z-090397
AKOS: AKOS001621765
BioBlocks: A1471/0064895
ChemBridge: 5659417...32 total

ref: mol2, SDF, SMILES, flexibase
2.13,7.75,-12.04,0,6,0, 383.423, 4
ref: mol2, SDF, SMILES, flexibase
2.13,7.74,-13.74,0,6,0, 383.423, 4
mid: mol2, SDF, SMILES, flexibase
2.13,9.9,-49.29,1,6,1, 384.431, 4

Similar to: 25460742, 36635633, 43301475,
2289388
 
#42

eMolecules: 4414893
Molport: MolPort-002-556-949
AKOS: AKOS001702791
BioBlocks: A0668/0031068
ChemDiv: 8004-1068...17 total

ref: mol2, SDF, SMILES, flexibase
3.12,4.06,-17.11,4,7,0, 403.438, 7
hi: mol2, SDF, SMILES, flexibase
3.12,4.83,-58.37,3,7,-1, 402.43, 7
3027882
 
#43

eMolecules: 6677962
Molport: MolPort-007-733-823
AKOS: AKOS001938804
Mcule: MCULE-2913200648
BindingDB.org: 51320...12 total

ref: mol2, SDF, SMILES, flexibase
2.46,8.28,-10.89,0,6,0, 328.368, 4
259632
 
#44

eMolecules: 2061270
Molport: MolPort-002-143-684
Scientific Exchange (make on demand): POD_12/0042
AKOS: AKOS003858810
American Custom Chemicals Corp.: CHM0175872...18 total

ref: mol2, SDF, SMILES, flexibase
2.30,3.66,-16.64,2,5,0, 241.25, 3
hi: mol2, SDF, SMILES, flexibase
2.30,4.67,-60.77,1,5,-1, 240.242, 3

Similar to: 32145014,
1421793
 
#45

eMolecules: 3752439
Molport: MolPort-000-924-979
AKOS: AKOS001707583
BioBlocks: A3433/0145668
Chemical Block: A3433/0145668...20 total

ref: mol2, SDF, SMILES, flexibase
1.24,3.35,-17.3,3,7,0, 381.743, 4
ref: mol2, SDF, SMILES, flexibase
1.24,3.36,-17.42,3,7,0, 381.743, 4
1423678
 
#46

eMolecules: 6805770
Molport: MolPort-002-727-976
AKOS: AKOS001745055
BioBlocks: A3523/0149188
Chemical Block: A3523/0149188...15 total

ref: mol2, SDF, SMILES, flexibase
2.85,6.69,-12.87,1,5,0, 336.391, 5
mid: mol2, SDF, SMILES, flexibase
2.85,7.08,-39.04,2,5,1, 337.399, 5
20386020
 
#47

KeyOrganics: 4N-507S
Mcule: MCULE-3626117925
ChEMBL12: CHEMBL1454063
ChEMBL19: CHEMBL1454063
ChemDB: 4708204...10 total

ref: mol2, SDF, SMILES, flexibase
3.57,7.13,-6.72,0,3,0, 262.74, 1

Similar to: 39261927,
4056176
 
#48

eMolecules: 1872694
AKOS: AKOS002257681
ChemBridge: 6985094
Innovapharm: STT-00223776
Mcule: MCULE-4814709149...16 total

ref: mol2, SDF, SMILES, flexibase
4.39,10.46,-9.36,0,3,0, 270.328, 6

Similar to: 8009651, 8009653, 2599319,
12379409
 
#49

eMolecules: 1520178
Molport: MolPort-002-016-558
Scientific Exchange (make on demand): M-623532
AKOS: AKOS000667038
ChemBridge: 7936153...18 total

ref: mol2, SDF, SMILES, flexibase
1.53,7.02,-18.5,1,7,0, 391.475, 4
mid: mol2, SDF, SMILES, flexibase
1.53,7.71,-43.02,2,7,1, 392.483, 4
lo: mol2, SDF, SMILES, flexibase
1.53,9.23,-55.91,2,7,1, 392.483, 4
13130067
 
#50

eMolecules: 4416752
AKOS: AKOS003589999
IBScreen: STOCK1S-94596
Mcule: MCULE-3547234472
PBMR Labs Building Blocks: RBK_039972...13 total

ref: mol2, SDF, SMILES, flexibase
2.60,6.4,-12.12,1,4,0, 249.273, 0
mid: mol2, SDF, SMILES, flexibase
2.60,6.83,-28.24,2,4,1, 250.281, 0
3190817
 
#51

eMolecules: 5423226
Life Chemicals: F0300-0043
ChEMBL12: CHEMBL1620908, CHEMBL1453983
ChEMBL19: CHEMBL1620908, CHEMBL1453983
ChemBridge (Depleted): 5209018...13 total

ref: mol2, SDF, SMILES, flexibase
0.60,10.51,-24.25,1,3,1, 309.414, 3
lo: mol2, SDF, SMILES, flexibase
0.60,9.49,-14.68,2,3,0, 310.422, 3

Similar to: 33728762,
3372694
 
#52

ChEMBL12: CHEMBL1453981
ChEMBL19: CHEMBL1453981
ChemDB: 5595121
Collaborative Drug Discovery: 275597
PubChem: 5690367...6 total

ref: mol2, SDF, SMILES, flexibase
3.34,7.52,-19.83,1,6,0, 377.443, 7
hi: mol2, SDF, SMILES, flexibase
3.34,8.3,-52.22,0,6,-1, 376.435, 7

Similar to: 6612777, 6653709, 6655636,
8611851
 
#53

eMolecules: 27061479
Molport: MolPort-007-686-075
AKOS: AKOS001510566
Mcule: MCULE-7149724063
AKOS BB (make-on-demand): AKOS001510566...9 total

ref: mol2, SDF, SMILES, flexibase
5.36,14.16,-18.92,1,5,0, 466.581, 9

Similar to: 8611848,
8611848
 
#54

eMolecules: 27061479
Molport: MolPort-007-686-075
AKOS: AKOS001510566
Mcule: MCULE-7149724063
AKOS BB (make-on-demand): AKOS001510566...9 total

ref: mol2, SDF, SMILES, flexibase
5.36,14.24,-18.84,1,5,0, 466.581, 9

Similar to: 8611851,
4239083
 
#55

ChEMBL12: CHEMBL1453911
ChEMBL19: CHEMBL1453911
PubChem: 3232810
ref: mol2, SDF, SMILES, flexibase
3.65,11.44,-13.73,1,8,0, 412.453, 6

Similar to: 4239096, 4239051, 4238684, 4238518, 4238875, ... 9 in total.
6529731
 
#56

eMolecules: 4933855
Molport: MolPort-003-026-669
Life Chemicals: F0561-0402
Mcule: MCULE-6630114555
BindingDB.org: 32128...15 total

ref: mol2, SDF, SMILES, flexibase
2.51,7.66,-17.49,1,6,0, 446.326, 4

Similar to: 6529728,
6529728
 
#57

eMolecules: 4933855
Molport: MolPort-003-026-669
Life Chemicals: F0561-0402
Mcule: MCULE-6630114555
BindingDB.org: 32128...15 total

ref: mol2, SDF, SMILES, flexibase
2.51,7.66,-18.57,1,6,0, 446.326, 4

Similar to: 6529731,
429239
 
#58

eMolecules: 6685943
Molport: MolPort-007-628-205
AKOS: AKOS001502805
ChemDiv: C389-1326
Mcule: MCULE-2640291078...14 total

ref: mol2, SDF, SMILES, flexibase
1.93,7.03,-20.97,1,5,0, 324.38, 5

Similar to: 6696232, 6696422, 8023629, 8361004, 25085450, ... 8 in total.
478623
 
#59

eMolecules: 2251719
Molport: MolPort-002-083-854
ChemBridge: 5240449
ChemDiv: 4286-0172
IBScreen NP: STOCK1N-02141...16 total

ref: mol2, SDF, SMILES, flexibase
3.33,8.78,-10.77,0,3,0, 262.312, 0
12714733
 
#60

eMolecules: 20521715
Molport: MolPort-005-056-038
Mcule: MCULE-4883095919
ChEMBL12: CHEMBL1453848
ChEMBL19: CHEMBL1453848...11 total

ref: mol2, SDF, SMILES, flexibase
4.31,8.08,-12.63,0,5,0, 398.89, 5
12714729
 
#61

eMolecules: 20521715
Molport: MolPort-005-056-038
Mcule: MCULE-4883095919
ChEMBL12: CHEMBL1453848
ChEMBL19: CHEMBL1453848...11 total

ref: mol2, SDF, SMILES, flexibase
4.31,8.05,-12.18,0,5,0, 398.89, 5
1078380
 
#62

eMolecules: 2039142
Molport: MolPort-002-096-294
AKOS: AKOS001689397
ChemBridge: 7935836
Mcule: MCULE-4962751879...16 total

ref: mol2, SDF, SMILES, flexibase
1.74,9.67,-21.1,1,7,0, 360.468, 5
hi: mol2, SDF, SMILES, flexibase
1.92,8.28,-56.18,0,7,-1, 359.46, 5

Similar to: 34827936,
12475931
 
#63

AKOS: AKOS000715025
Asinex: ASN04883122
TimTec: ST50361442
ChEMBL12: CHEMBL1453844
ChEMBL19: CHEMBL1453844...11 total

ref: mol2, SDF, SMILES, flexibase
5.15,12.35,-19.41,2,7,0, 513.638, 9

Similar to: 8670183,
8670183
 
#64

AKOS: AKOS000715025
Asinex: ASN04883122
TimTec: ST50361442
ChEMBL12: CHEMBL1453844
ChEMBL19: CHEMBL1453844...11 total

ref: mol2, SDF, SMILES, flexibase
5.15,12.74,-17.03,2,7,0, 513.638, 9

Similar to: 12475931,
2332475
 
#65

eMolecules: 680892
AKOS: AKOS001651795
Aldrich CPR: R833495|ALDRICH
ChemBridge: 6652529
ChemDiv: 4340-2141...21 total

ref: mol2, SDF, SMILES, flexibase
4.77,10.37,-15.66,0,6,0, 498.402, 3
5201127
 
#66

eMolecules: 27007055
Molport: MolPort-003-830-240
AKOS: AKOS000411500
ChemDiv: 3229-1076
Labotest: LT00141182...15 total

ref: mol2, SDF, SMILES, flexibase
1.24,11.22,-12.27,1,10,0, 370.417, 5
mid: mol2, SDF, SMILES, flexibase
1.24,11.56,-33.53,2,10,1, 371.425, 5

Similar to: 5320049, 33747294, 33788573,
4100605
 
#67

eMolecules: 2631150
Molport: MolPort-007-680-423
AKOS: AKOS001873414
ChEMBL12: CHEMBL1453790
ChEMBL19: CHEMBL1453790...9 total

ref: mol2, SDF, SMILES, flexibase
3.15,9.33,-18.49,1,7,0, 401.536, 5

Similar to: 4100602,
4100602
 
#68

eMolecules: 2631150
Molport: MolPort-007-680-423
AKOS: AKOS001873414
ChEMBL12: CHEMBL1453790
ChEMBL19: CHEMBL1453790...9 total

ref: mol2, SDF, SMILES, flexibase
3.15,9.31,-18.46,1,7,0, 401.536, 5

Similar to: 4100605,
3439679
 
#69

eMolecules: 3315178
Molport: MolPort-004-063-122
Enamine: Z19710959
Mcule: MCULE-3291076090
ChEMBL12: CHEMBL1453789...12 total

ref: mol2, SDF, SMILES, flexibase
2.95,8.33,-16.94,1,6,0, 320.732, 6

Similar to: 4881276, 3370027,
815479
 
#70

eMolecules: 1514447
Molport: MolPort-001-601-636
Scientific Exchange (make on demand): M-700119
AKOS: AKOS000654442
Alinda: IBS-C0002567...20 total

ref: mol2, SDF, SMILES, flexibase
3.48,7.04,-14.83,1,4,0, 301.367, 4
150854
 
#71

eMolecules: 2040404
Molport: MolPort-002-317-135
AKOS: AKOS002242145
Innovapharm: STT-00234511
Mcule: MCULE-2306484886...15 total

ref: mol2, SDF, SMILES, flexibase
2.64,8.25,-21.75,1,6,0, 330.365, 4
hi: mol2, SDF, SMILES, flexibase
2.83,6.48,-50.37,0,6,-1, 329.357, 4
150852
 
#72

eMolecules: 2040404
Molport: MolPort-002-317-135
AKOS: AKOS002242145
Innovapharm: STT-00234511
Mcule: MCULE-2306484886...15 total

ref: mol2, SDF, SMILES, flexibase
2.64,8.29,-21.76,1,6,0, 330.365, 4
hi: mol2, SDF, SMILES, flexibase
2.83,6.48,-50.36,0,6,-1, 329.357, 4
19619347
 
#73

eMolecules: 1430668
Molport: MolPort-001-910-277
AKOS: AKOS000601136
ChemBridge: 6955780
Innovapharm: STT-00301098...20 total

ref: mol2, SDF, SMILES, flexibase
2.42,0.68,-10.18,1,6,0, 383.297, 7

Similar to: 4356333,
13814499
 
#74

ChEMBL12: CHEMBL1453785
ChEMBL19: CHEMBL1453785
PubChem: 17756894
ref: mol2, SDF, SMILES, flexibase
4.10,13.58,-8.11,0,2,0, 331.459, 3

Similar to: 34960964,
13814495
 
#75

ChEMBL12: CHEMBL1453785
ChEMBL19: CHEMBL1453785
PubChem: 16060143, 17756894
ref: mol2, SDF, SMILES, flexibase
4.10,13.43,-6.8,0,2,0, 331.459, 3
1465689
 
#76

eMolecules: 3011423
AKOS: AKOS001048911
Innovapharm: STT-00031134
Life Chemicals: F1174-1482
Mcule: MCULE-8575218590...14 total

ref: mol2, SDF, SMILES, flexibase
3.35,11.29,-12.23,0,4,0, 327.434, 2
905168
 
#77

eMolecules: 1443985
Molport: MolPort-001-888-967
AKOS: AKOS000363316
Asinex: BAS04026009
ChemBridge: 9056653...21 total

ref: mol2, SDF, SMILES, flexibase
1.51,7.48,-18.87,1,7,0, 360.468, 5
619469
 
#78

eMolecules: 1494559
Molport: MolPort-002-009-008
AKOS: AKOS000606487
Asinex: BAS07208105
Mcule: MCULE-1168117884...17 total

ref: mol2, SDF, SMILES, flexibase
1.18,3.21,-15.16,1,6,0, 256.265, 3
13133603
 
#79

Mcule: MCULE-8351243369
ChEMBL12: CHEMBL1453737
ChEMBL19: CHEMBL1453737
ChemDB: 7354779
Collaborative Drug Discovery: 220877...8 total

ref: mol2, SDF, SMILES, flexibase
1.30,6.52,-20.29,2,6,0, 305.341, 5
lo: mol2, SDF, SMILES, flexibase
1.30,6.75,-38.87,3,6,1, 306.349, 5

Similar to: 5902495,
2923283
 
#80

ChEMBL12: CHEMBL1453736
ChEMBL19: CHEMBL1453736
ChemDB: 6771142
Collaborative Drug Discovery: 312484
PubChem: 3245444...6 total

ref: mol2, SDF, SMILES, flexibase
2.40,8.46,-13.71,1,9,0, 450.542, 9
hi: mol2, SDF, SMILES, flexibase
2.47,6.97,-47.08,0,9,-1, 449.534, 9

Similar to: 20756150,
1389056
 
#81

Molport: MolPort-002-868-867
KeyOrganics: 4M-337S
Mcule: MCULE-7830800042
BindingDB.org: 66761
ChEMBL12: CHEMBL1453734...12 total

ref: mol2, SDF, SMILES, flexibase
3.95,8.12,-9.19,0,3,0, 287.746, 1
1389057
 
#82

Molport: MolPort-002-868-867
KeyOrganics: 4M-337S
Mcule: MCULE-7830800042
BindingDB.org: 66761
ChEMBL12: CHEMBL1453734...12 total

ref: mol2, SDF, SMILES, flexibase
3.95,8.1,-8.86,0,3,0, 287.746, 1
4077293
 
#83

eMolecules: 2590323
Molport: MolPort-007-596-304
AKOS: AKOS001761092
Mcule: MCULE-1609996450
ChEMBL12: CHEMBL1453430...12 total

ref: mol2, SDF, SMILES, flexibase
1.86,9.71,-24.31,1,9,0, 425.47, 6
15997230
 
#84

eMolecules: 18856873
Molport: MolPort-004-670-355
Enamine: Z27190078
Mcule: MCULE-9122379238
ChEMBL12: CHEMBL1453429...13 total

ref: mol2, SDF, SMILES, flexibase
3.55,5.85,-16.77,1,6,0, 456.395, 5
mid: mol2, SDF, SMILES, flexibase
3.55,8.22,-52.77,2,6,1, 457.403, 5

Similar to: 15997231, 21592641, 21592643, 31337169, 31337172, ... 7 in total.
15997231
 
#85

eMolecules: 18856873
Molport: MolPort-004-670-355
Enamine: Z27190078
Mcule: MCULE-9122379238
ChEMBL12: CHEMBL1453429...13 total

ref: mol2, SDF, SMILES, flexibase
3.55,5.88,-17.09,1,6,0, 456.395, 5
mid: mol2, SDF, SMILES, flexibase
3.55,8.25,-53.76,2,6,1, 457.403, 5

Similar to: 21592641, 21592643, 31337169, 31337172, ... 7 in total.
9613002
 
#86

eMolecules: 3218849
Molport: MolPort-004-271-208
Enamine: Z30577479
Mcule: MCULE-1647535629
ChEMBL12: CHEMBL1453428...12 total

ref: mol2, SDF, SMILES, flexibase
2.81,5.85,-15.34,1,9,0, 485.562, 5

Similar to: 16472488, 21357619, 21668032, 21668114, 23659615, ... 5 in total.
8591494
 
#87

eMolecules: 16213325
Molport: MolPort-007-757-974
AKOS: AKOS001921842
Mcule: MCULE-2684735989
ChEMBL12: CHEMBL1453427...10 total

ref: mol2, SDF, SMILES, flexibase
4.26,14.31,-19.77,1,7,0, 480.568, 5

Similar to: 8591787, 8591453,
257383
 
#88

eMolecules: 2074853
Molport: MolPort-002-115-478
Scientific Exchange (make on demand): Z-036326
AKOS: AKOS001611119
ChemBridge: 5468806...18 total

ref: mol2, SDF, SMILES, flexibase
2.18,6.46,-18.16,1,5,0, 269.304, 5

Similar to: 565452,
13687726
 
#89

eMolecules: 26313860
American Custom Chemicals Corp.: CHM0203842
IBScreen: STOCK3S-67028
Mcule: MCULE-1406703920
Pharmeks: PHAR170824...10 total

ref: mol2, SDF, SMILES, flexibase
2.39,4.05,-18,3,7,0, 353.378, 7
hi: mol2, SDF, SMILES, flexibase
2.39,4.97,-60.83,2,7,-1, 352.37, 7
2862793
 
#90

eMolecules: 2477472
Molport: MolPort-002-275-899
ChemBridge: 7890816
Mcule: MCULE-7733822564
ChEMBL12: CHEMBL1453296...11 total

ref: mol2, SDF, SMILES, flexibase
3.71,7.5,-9.23,1,5,0, 383.286, 6
4704987
 
#91

eMolecules: 2374685
Molport: MolPort-002-170-284
Scientific Exchange (make on demand): H-086950
AKOS: AKOS000927781
ChemBridge: 5813831...19 total

ref: mol2, SDF, SMILES, flexibase
2.78,6.08,-22.57,3,5,0, 320.348, 5

Similar to: 5365885,
3260405
 
#92

ChEMBL12: CHEMBL1453293
ChEMBL19: CHEMBL1453293
ChemDB: 5357467
Collaborative Drug Discovery: 161978
PubChem: 2377171...5 total

ref: mol2, SDF, SMILES, flexibase
3.10,9.94,-15.12,1,6,0, 342.395, 9

Similar to: 3487427, 6448251, 6466534, 6466536, 6642537, ... 19 in total.
41164
 
#93

eMolecules: 4430885
IBScreen: STOCK2S-25767
Mcule: MCULE-9784865704
Pharmeks: PHAR054545
TimTec Building Blocks: SBB007621...30 total

ref: mol2, SDF, SMILES, flexibase
1.68,5.74,-9.76,0,4,0, 234.262, 2

Similar to: 33943071,
2631416
 
#94

eMolecules: 3575736
Molport: MolPort-004-054-218
Enamine: Z26413875
Mcule: MCULE-6995725537
ChEMBL12: CHEMBL1453290...13 total

ref: mol2, SDF, SMILES, flexibase
3.30,5.11,-9.74,2,6,0, 355.438, 7

Similar to: 6551540,
2631415
 
#95

eMolecules: 3575736
Molport: MolPort-004-054-218
Enamine: Z26413875
Mcule: MCULE-6995725537
ChEMBL12: CHEMBL1453290...13 total

ref: mol2, SDF, SMILES, flexibase
3.30,5.45,-9.5,2,6,0, 355.438, 7

Similar to: 6551540,
4115478
 
#96

eMolecules: 2632044
Molport: MolPort-007-682-278
AKOS: AKOS001850902
Mcule: MCULE-5993574218
AKOS BB (make-on-demand): AKOS001850902...12 total

ref: mol2, SDF, SMILES, flexibase
3.72,8.89,-14.36,0,8,0, 422.437, 8
61959694
 
#97

ChEMBL12: CHEMBL1453154
ChEMBL19: CHEMBL1453154
PubChem: 42601021
ref: mol2, SDF, SMILES, flexibase
2.02,5.58,-13.49,1,7,0, 340.383, 7
444553
 
#98

American Custom Chemicals Corp.: HCH0291215
BindingDB.org: 39313
ChEMBL12: CHEMBL1453022
ChEMBL19: CHEMBL1453022
ChemDB: 4323203...9 total

ref: mol2, SDF, SMILES, flexibase
1.96,7.93,-13.23,2,8,0, 342.334, 6

Similar to: 8579391, 34853164,
13659649
 
#99

ChEMBL12: CHEMBL1453021
ChEMBL19: CHEMBL1453021
Collaborative Drug Discovery: 274913, 1457816
Kansas: 171572783
PubChem: 16746539...6 total

ref: mol2, SDF, SMILES, flexibase
5.68,11.31,-11.64,0,5,0, 516.457, 11
13659645
 
#100

ChEMBL12: CHEMBL1453021
ChEMBL19: CHEMBL1453021
Collaborative Drug Discovery: 1457816, 274913
Kansas: 171572783
PubChem: 16746539...7 total

ref: mol2, SDF, SMILES, flexibase
5.68,11.94,-13.83,0,5,0, 516.457, 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 = 471 ) limit 0,100

Smiles were