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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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9545111
 
#1

eMolecules: 11834968
Molport: MolPort-004-225-514
Enamine: Z13647389
Mcule: MCULE-2534876703
ZereneX: ZX-AV-EM000001...9 total

ref: mol2, SDF, SMILES, flexibase
4.48,1.86,-8.13,0,4,0, 342.826, 3

Similar to: 9545113, 12598928, 12598929,
9545113
 
#2

eMolecules: 11834968
Molport: MolPort-004-225-514
Enamine: Z13647389
Mcule: MCULE-2534876703
ZereneX: ZX-AV-EM000001...9 total

ref: mol2, SDF, SMILES, flexibase
4.48,1.86,-8.03,0,4,0, 342.826, 3

Similar to: 12598928, 12598929, 9545111,
12598929
 
#3

eMolecules: 11834968
Molport: MolPort-004-225-514
Enamine: Z13647389
Mcule: MCULE-2534876703
ZereneX: ZX-AV-EM000001...9 total

ref: mol2, SDF, SMILES, flexibase
4.48,10.81,-8.02,0,4,0, 342.826, 3

Similar to: 12598928, 9545111, 9545113,
12598928
 
#4

eMolecules: 11834968
Molport: MolPort-004-225-514
Enamine: Z13647389
Mcule: MCULE-2534876703
ZereneX: ZX-AV-EM000001...9 total

ref: mol2, SDF, SMILES, flexibase
4.48,10.81,-8.12,0,4,0, 342.826, 3

Similar to: 12598929, 9545111, 9545113,
3592586
 
#5

eMolecules: 3497590
Molport: MolPort-004-118-636
Enamine: Z13864834
ZereneX: ZX-AV-EM000002
ChemDB: 7303000...6 total

ref: mol2, SDF, SMILES, flexibase
2.66,-0.58,-14.91,2,7,0, 381.379, 5

Similar to: 4308059, 5787587, 5787589, 5787590, 5787592, ... 12 in total.
8404735
 
#6

eMolecules: 3608244
Molport: MolPort-004-169-113
Enamine: Z13873713
Mcule: MCULE-9048811135
ZereneX: ZX-AV-EM000003...11 total

ref: mol2, SDF, SMILES, flexibase
3.82,8.07,-6.35,1,4,0, 351.244, 2

Similar to: 42199373, 42199375,
32636394
 
#7

ZereneX: ZX-AV-EM000004
PubChem: 39880940
ref: mol2, SDF, SMILES, flexibase
3.02,7.64,-20.35,1,7,0, 409.433, 6

Similar to: 26316039, 26318619, 11508181,
12682813
 
#8

eMolecules: 3595672
Molport: MolPort-004-159-377
Enamine: Z14015410
Mcule: MCULE-8333753246
ZereneX: ZX-AV-EM000005...10 total

ref: mol2, SDF, SMILES, flexibase
2.61,6.46,-17.5,2,9,0, 433.505, 6

Similar to: 9730343,
9730343
 
#9

eMolecules: 3595672
Molport: MolPort-004-159-377
Enamine: Z14015410
Mcule: MCULE-8333753246
ZereneX: ZX-AV-EM000005...10 total

ref: mol2, SDF, SMILES, flexibase
2.61,5.74,-17.89,2,9,0, 433.505, 6

Similar to: 12682804, 12682809, 12682813,
12682809
 
#10

eMolecules: 3595672
Molport: MolPort-004-159-377
Enamine: Z14015410
Mcule: MCULE-8333753246
ZereneX: ZX-AV-EM000005...10 total

ref: mol2, SDF, SMILES, flexibase
2.61,5.75,-18.37,2,9,0, 433.505, 6

Similar to: 9730343,
12682804
 
#11

eMolecules: 3595672
Molport: MolPort-004-159-377
Enamine: Z14015410
Mcule: MCULE-8333753246
ZereneX: ZX-AV-EM000005...10 total

ref: mol2, SDF, SMILES, flexibase
2.61,6.46,-17.38,2,9,0, 433.505, 6

Similar to: 9730343,
2635115
 
#12

eMolecules: 3204231
Molport: MolPort-004-036-508
Enamine: Z14015520
Mcule: MCULE-9730734563
ZereneX: ZX-AV-EM000006...10 total

ref: mol2, SDF, SMILES, flexibase
4.16,2.15,-10.23,1,5,0, 370.493, 3
2635114
 
#13

eMolecules: 3204231
Molport: MolPort-004-036-508
Enamine: Z14015520
Mcule: MCULE-9730734563
ZereneX: ZX-AV-EM000006...10 total

ref: mol2, SDF, SMILES, flexibase
4.16,1.15,-10.76,1,5,0, 370.493, 3
2635113
 
#14

eMolecules: 3204231
Molport: MolPort-004-036-508
Enamine: Z14015520
Mcule: MCULE-9730734563
ZereneX: ZX-AV-EM000006...10 total

ref: mol2, SDF, SMILES, flexibase
4.16,1.17,-10.84,1,5,0, 370.493, 3
2635112
 
#15

eMolecules: 3204231
Molport: MolPort-004-036-508
Enamine: Z14015520
Mcule: MCULE-9730734563
ZereneX: ZX-AV-EM000006...10 total

ref: mol2, SDF, SMILES, flexibase
4.16,2.14,-10.27,1,5,0, 370.493, 3
7004236
 
#16

eMolecules: 2883792
Molport: MolPort-004-108-726
Enamine: Z14015564
Mcule: MCULE-8056602011
ZereneX: ZX-AV-EM000007...10 total

ref: mol2, SDF, SMILES, flexibase
4.12,8.85,-9.78,1,5,0, 364.873, 4

Similar to: 7004238, 7004241, 7004244, 26082932, ... 5 in total.
7004238
 
#17

eMolecules: 2883792
Molport: MolPort-004-108-726
Enamine: Z14015564
Mcule: MCULE-8056602011
ZereneX: ZX-AV-EM000007...10 total

ref: mol2, SDF, SMILES, flexibase
4.12,8.13,-10.08,1,5,0, 364.873, 4

Similar to: 7004241, 7004244, 26082932,
7004241
 
#18

eMolecules: 2883792
Molport: MolPort-004-108-726
Enamine: Z14015564
Mcule: MCULE-8056602011
ZereneX: ZX-AV-EM000007...10 total

ref: mol2, SDF, SMILES, flexibase
4.12,8.13,-10.15,1,5,0, 364.873, 4

Similar to: 7004244, 26082932, 6599213, 4515283, 4515286, ... 9 in total.
7004244
 
#19

eMolecules: 2883792
Molport: MolPort-004-108-726
Enamine: Z14015564
Mcule: MCULE-8056602011
ZereneX: ZX-AV-EM000007...10 total

ref: mol2, SDF, SMILES, flexibase
4.12,8.85,-9.8,1,5,0, 364.873, 4

Similar to: 26082932, 6599213, 4515283, 4515286, 4515290, ... 9 in total.
7001687
 
#20

eMolecules: 2876582
Molport: MolPort-004-108-736
Enamine: Z14015578
Mcule: MCULE-1259031716
ZereneX: ZX-AV-EM000008...10 total

ref: mol2, SDF, SMILES, flexibase
3.92,0.84,-8.54,1,5,0, 344.455, 4

Similar to: 7001693, 7001698, 7001704, 42979816, 42979819, ... 6 in total.
7001693
 
#21

eMolecules: 2876582
Molport: MolPort-004-108-736
Enamine: Z14015578
Mcule: MCULE-1259031716
ZereneX: ZX-AV-EM000008...10 total

ref: mol2, SDF, SMILES, flexibase
3.92,-0.14,-9.01,1,5,0, 344.455, 4

Similar to: 7001698, 7001704, 42979816, 42979819, ... 6 in total.
7001698
 
#22

eMolecules: 2876582
Molport: MolPort-004-108-736
Enamine: Z14015578
Mcule: MCULE-1259031716
ZereneX: ZX-AV-EM000008...10 total

ref: mol2, SDF, SMILES, flexibase
3.92,-0.2,-9.49,1,5,0, 344.455, 4

Similar to: 7001704, 42979816, 42979819,
7001704
 
#23

eMolecules: 2876582
Molport: MolPort-004-108-736
Enamine: Z14015578
Mcule: MCULE-1259031716
ZereneX: ZX-AV-EM000008...10 total

ref: mol2, SDF, SMILES, flexibase
3.92,0.81,-9.07,1,5,0, 344.455, 4

Similar to: 4469405, 7001687, 7001693, 7001698, ... 4 in total.
3351181
 
#24

eMolecules: 3346024
Molport: MolPort-004-073-392
Enamine: Z14017725
Mcule: MCULE-5931415478
ZereneX: ZX-AV-EM000009...11 total

ref: mol2, SDF, SMILES, flexibase
3.24,8.01,-8.3,1,5,0, 330.428, 3

Similar to: 3351182, 3351184, 4287774, 4308119, 5292046, ... 7 in total.
3351179
 
#25

eMolecules: 3346024
Molport: MolPort-004-073-392
Enamine: Z14017725
Mcule: MCULE-5931415478
ZereneX: ZX-AV-EM000009...11 total

ref: mol2, SDF, SMILES, flexibase
3.24,7.28,-8.77,1,5,0, 330.428, 3

Similar to: 3351181, 3351182, 3351184, 4287774, 4308119, ... 7 in total.
3351184
 
#26

eMolecules: 3346024
Molport: MolPort-004-073-392
Enamine: Z14017725
Mcule: MCULE-5931415478
ZereneX: ZX-AV-EM000009...11 total

ref: mol2, SDF, SMILES, flexibase
3.24,7.29,-8.8,1,5,0, 330.428, 3

Similar to: 5292046, 5293041, 6553099,
3351182
 
#27

eMolecules: 3346024
Molport: MolPort-004-073-392
Enamine: Z14017725
Mcule: MCULE-5931415478
ZereneX: ZX-AV-EM000009...11 total

ref: mol2, SDF, SMILES, flexibase
3.24,8.01,-8.28,1,5,0, 330.428, 3

Similar to: 3351184, 4287774, 4308119, 5292046, 5293041, ... 8 in total.
6788268
 
#28

eMolecules: 3447920
Molport: MolPort-004-100-089
Enamine: Z14018673
Mcule: MCULE-1887859050
ZereneX: ZX-AV-EM000010...10 total

ref: mol2, SDF, SMILES, flexibase
3.61,1.65,-7.69,1,4,0, 314.429, 2

Similar to: 6788270, 6788271, 6788272,
6788270
 
#29

eMolecules: 3447920
Molport: MolPort-004-100-089
Enamine: Z14018673
Mcule: MCULE-1887859050
ZereneX: ZX-AV-EM000010...10 total

ref: mol2, SDF, SMILES, flexibase
3.61,0.66,-8.29,1,4,0, 314.429, 2

Similar to: 6788271, 6788272, 4308121, 6788268, ... 4 in total.
6788271
 
#30

eMolecules: 3447920
Molport: MolPort-004-100-089
Enamine: Z14018673
Mcule: MCULE-1887859050
ZereneX: ZX-AV-EM000010...10 total

ref: mol2, SDF, SMILES, flexibase
3.61,0.65,-8.35,1,4,0, 314.429, 2

Similar to: 6788272, 4308121, 6788268, 6788270, ... 4 in total.
6788272
 
#31

eMolecules: 3447920
Molport: MolPort-004-100-089
Enamine: Z14018673
Mcule: MCULE-1887859050
ZereneX: ZX-AV-EM000010...10 total

ref: mol2, SDF, SMILES, flexibase
3.61,1.69,-7.67,1,4,0, 314.429, 2

Similar to: 4308121, 6788268, 6788270, 6788271, ... 4 in total.
6583176
 
#32

eMolecules: 3502978
Molport: MolPort-004-121-517
Enamine: Z14018775
Mcule: MCULE-4695152701
ZereneX: ZX-AV-EM000011...10 total

ref: mol2, SDF, SMILES, flexibase
3.02,8.3,-13.61,1,7,0, 383.448, 3

Similar to: 6583178, 6583179, 6583180, 6906841, 8235327, ... 9 in total.
6583178
 
#33

eMolecules: 3502978
Molport: MolPort-004-121-517
Enamine: Z14018775
Mcule: MCULE-4695152701
ZereneX: ZX-AV-EM000011...10 total

ref: mol2, SDF, SMILES, flexibase
3.02,7.57,-14.55,1,7,0, 383.448, 3

Similar to: 6583179, 6583180, 6906841, 8235327, 25928869, ... 8 in total.
6583179
 
#34

eMolecules: 3502978
Molport: MolPort-004-121-517
Enamine: Z14018775
Mcule: MCULE-4695152701
ZereneX: ZX-AV-EM000011...10 total

ref: mol2, SDF, SMILES, flexibase
3.02,7.58,-14.54,1,7,0, 383.448, 3

Similar to: 6583180, 6906841, 8235327, 25928869, 25933113, ... 7 in total.
6583180
 
#35

eMolecules: 3502978
Molport: MolPort-004-121-517
Enamine: Z14018775
Mcule: MCULE-4695152701
ZereneX: ZX-AV-EM000011...10 total

ref: mol2, SDF, SMILES, flexibase
3.02,8.3,-13.66,1,7,0, 383.448, 3

Similar to: 6906841, 8235327, 25928869, 25933113, ... 8 in total.
3459256
 
#36

eMolecules: 11859702
Molport: MolPort-004-226-573
Enamine: Z14019090
Mcule: MCULE-2142728288
ZereneX: ZX-AV-EM000012...11 total

ref: mol2, SDF, SMILES, flexibase
3.38,0.28,-13.6,2,6,0, 357.454, 3

Similar to: 24592668, 24592671, 24592674, 24592676, 26030479, ... 12 in total.
3459254
 
#37

eMolecules: 11859702
Molport: MolPort-004-226-573
Enamine: Z14019090
Mcule: MCULE-2142728288
ZereneX: ZX-AV-EM000012...11 total

ref: mol2, SDF, SMILES, flexibase
3.38,-0.72,-14.59,2,6,0, 357.454, 3

Similar to: 3459256, 24592668, 24592671, 24592674, 24592676, ... 12 in total.
3459252
 
#38

eMolecules: 11859702
Molport: MolPort-004-226-573
Enamine: Z14019090
Mcule: MCULE-2142728288
ZereneX: ZX-AV-EM000012...11 total

ref: mol2, SDF, SMILES, flexibase
3.38,-0.71,-14.73,2,6,0, 357.454, 3

Similar to: 3459254, 3459256, 24592668, 24592671, 24592674, ... 12 in total.
3459248
 
#39

eMolecules: 11859702
Molport: MolPort-004-226-573
Enamine: Z14019090
Mcule: MCULE-2142728288
ZereneX: ZX-AV-EM000012...11 total

ref: mol2, SDF, SMILES, flexibase
3.38,0.28,-13.51,2,6,0, 357.454, 3

Similar to: 3459252, 3459254, 3459256, 24592668, 24592671, ... 15 in total.
3368758
 
#40

AKOS: AKOS007931833
Mcule: MCULE-7004671038
UORSY: PB14096568
ZereneX: ZX-AV-EM000013
ChemDB: 5442003...8 total

ref: mol2, SDF, SMILES, flexibase
3.43,0.08,-13.7,2,6,0, 357.454, 3

Similar to: 36725585, 36725586, 36725587, 36725588, ... 7 in total.
3368757
 
#41

AKOS: AKOS007931833
Mcule: MCULE-7004671038
UORSY: PB14096568
ZereneX: ZX-AV-EM000013
ChemDB: 5442003...8 total

ref: mol2, SDF, SMILES, flexibase
3.43,-0.92,-14.87,2,6,0, 357.454, 3

Similar to: 3368758, 36725585, 36725586, 36725587, 36725588, ... 7 in total.
3368755
 
#42

AKOS: AKOS007931833
Mcule: MCULE-7004671038
UORSY: PB14096568
ZereneX: ZX-AV-EM000013
ChemDB: 5442003...8 total

ref: mol2, SDF, SMILES, flexibase
3.43,-0.94,-14.76,2,6,0, 357.454, 3

Similar to: 3368757, 3368758, 36725585, 36725586, 36725587, ... 7 in total.
3368752
 
#43

AKOS: AKOS007931833
Mcule: MCULE-7004671038
UORSY: PB14096568
ZereneX: ZX-AV-EM000013
ChemDB: 5442003...8 total

ref: mol2, SDF, SMILES, flexibase
3.43,0.04,-13.84,2,6,0, 357.454, 3

Similar to: 3368755, 3368757, 3368758, 36725585, 36725586, ... 7 in total.
12601591
 
#44

eMolecules: 11890459
Molport: MolPort-004-230-882
Enamine: Z14019341
Mcule: MCULE-4817932407
ZereneX: ZX-AV-EM000014...10 total

ref: mol2, SDF, SMILES, flexibase
1.78,5.3,-12.71,2,6,0, 307.394, 3

Similar to: 12601594, 25155321, 25155326, 25155332, 25155337, ... 19 in total.
12601594
 
#45

eMolecules: 11890459
Molport: MolPort-004-230-882
Enamine: Z14019341
Mcule: MCULE-4817932407
ZereneX: ZX-AV-EM000014...10 total

ref: mol2, SDF, SMILES, flexibase
1.78,4.57,-13.01,2,6,0, 307.394, 3

Similar to: 25155321, 25155326, 25155332, 25155337, 25771423, ... 19 in total.
12601585
 
#46

eMolecules: 11890459
Molport: MolPort-004-230-882
Enamine: Z14019341
Mcule: MCULE-4817932407
ZereneX: ZX-AV-EM000014...10 total

ref: mol2, SDF, SMILES, flexibase
1.78,4.59,-13.51,2,6,0, 307.394, 3

Similar to: 12601588, 12601591, 12601594, 25155321, 25155326, ... 19 in total.
12601588
 
#47

eMolecules: 11890459
Molport: MolPort-004-230-882
Enamine: Z14019341
Mcule: MCULE-4817932407
ZereneX: ZX-AV-EM000014...10 total

ref: mol2, SDF, SMILES, flexibase
1.78,5.3,-12.52,2,6,0, 307.394, 3

Similar to: 12601591, 12601594, 25155321, 25155326, 25155332, ... 19 in total.
9313455
 
#48

eMolecules: 11878758
Molport: MolPort-004-230-944
Enamine: Z14019643
Mcule: MCULE-6052710727
ZereneX: ZX-AV-EM000015...10 total

ref: mol2, SDF, SMILES, flexibase
2.82,6.6,-12.62,2,6,0, 335.448, 3

Similar to: 44705548, 44705549, 44705550, 44705551, ... 4 in total.
9313456
 
#49

eMolecules: 11878758
Molport: MolPort-004-230-944
Enamine: Z14019643
Mcule: MCULE-6052710727
ZereneX: ZX-AV-EM000015...10 total

ref: mol2, SDF, SMILES, flexibase
2.82,5.87,-12.95,2,6,0, 335.448, 3

Similar to: 42765902, 42765906, 42765910, 42765914, ... 4 in total.
9313457
 
#50

eMolecules: 11878758
Molport: MolPort-004-230-944
Enamine: Z14019643
Mcule: MCULE-6052710727
ZereneX: ZX-AV-EM000015...10 total

ref: mol2, SDF, SMILES, flexibase
2.82,5.88,-13.36,2,6,0, 335.448, 3

Similar to: 42765902, 42765906, 42765910, 42765914, ... 4 in total.
9313458
 
#51

eMolecules: 11878758
Molport: MolPort-004-230-944
Enamine: Z14019643
Mcule: MCULE-6052710727
ZereneX: ZX-AV-EM000015...10 total

ref: mol2, SDF, SMILES, flexibase
2.82,6.6,-12.51,2,6,0, 335.448, 3

Similar to: 42765902, 42765906, 42765910, 42765914, 44705548, ... 8 in total.
3307382
 
#52

eMolecules: 3091938
Molport: MolPort-004-017-470
Enamine: Z14019667
Mcule: MCULE-7162516182
ZereneX: ZX-AV-EM000016...11 total

ref: mol2, SDF, SMILES, flexibase
2.99,6.72,-13.82,2,7,0, 373.453, 4

Similar to: 26104472, 26105973,
3307380
 
#53

eMolecules: 3091938
Molport: MolPort-004-017-470
Enamine: Z14019667
Mcule: MCULE-7162516182
ZereneX: ZX-AV-EM000016...11 total

ref: mol2, SDF, SMILES, flexibase
2.99,6.01,-14.13,2,7,0, 373.453, 4

Similar to: 26104472, 26105973,
3307385
 
#54

eMolecules: 3091938
Molport: MolPort-004-017-470
Enamine: Z14019667
Mcule: MCULE-7162516182
ZereneX: ZX-AV-EM000016...11 total

ref: mol2, SDF, SMILES, flexibase
2.99,6.02,-14.58,2,7,0, 373.453, 4

Similar to: 26105973,
3307384
 
#55

eMolecules: 3091938
Molport: MolPort-004-017-470
Enamine: Z14019667
Mcule: MCULE-7162516182
ZereneX: ZX-AV-EM000016...11 total

ref: mol2, SDF, SMILES, flexibase
2.99,6.73,-13.62,2,7,0, 373.453, 4

Similar to: 26104472, 26105973,
3303871
 
#56

eMolecules: 3178319
Molport: MolPort-004-031-913
Enamine: Z14019754
Mcule: MCULE-4480820046
ZereneX: ZX-AV-EM000017...10 total

ref: mol2, SDF, SMILES, flexibase
2.63,6.52,-16.4,2,8,0, 403.479, 5

Similar to: 6260653,
3303869
 
#57

eMolecules: 3178319
Molport: MolPort-004-031-913
Enamine: Z14019754
Mcule: MCULE-4480820046
ZereneX: ZX-AV-EM000017...10 total

ref: mol2, SDF, SMILES, flexibase
2.63,5.81,-16.7,2,8,0, 403.479, 5

Similar to: 6260653,
6260653
 
#58

eMolecules: 3178319
Molport: MolPort-004-031-913
Enamine: Z14019754
Mcule: MCULE-4480820046
ZereneX: ZX-AV-EM000017...10 total

ref: mol2, SDF, SMILES, flexibase
2.63,5.82,-17.18,2,8,0, 403.479, 5

Similar to: 3303872, 3303871, 3303869,
3303872
 
#59

eMolecules: 3178319
Molport: MolPort-004-031-913
Enamine: Z14019754
Mcule: MCULE-4480820046
ZereneX: ZX-AV-EM000017...10 total

ref: mol2, SDF, SMILES, flexibase
2.63,6.52,-16.26,2,8,0, 403.479, 5

Similar to: 6260653,
12620508
 
#60

eMolecules: 11911825
Molport: MolPort-004-241-207
Enamine: Z14019846
Mcule: MCULE-4876846036
ZereneX: ZX-AV-EM000018...10 total

ref: mol2, SDF, SMILES, flexibase
3.83,7.5,-12.53,2,6,0, 363.502, 3

Similar to: 12620510, 12620503, 12620505,
12620510
 
#61

eMolecules: 11911825
Molport: MolPort-004-241-207
Enamine: Z14019846
Mcule: MCULE-4876846036
ZereneX: ZX-AV-EM000018...10 total

ref: mol2, SDF, SMILES, flexibase
3.83,6.78,-12.79,2,6,0, 363.502, 3

Similar to: 12620503, 12620505, 12620508,
12620503
 
#62

eMolecules: 11911825
Molport: MolPort-004-241-207
Enamine: Z14019846
Mcule: MCULE-4876846036
ZereneX: ZX-AV-EM000018...10 total

ref: mol2, SDF, SMILES, flexibase
3.83,6.79,-13.28,2,6,0, 363.502, 3

Similar to: 12620505, 12620508, 12620510,
12620505
 
#63

eMolecules: 11911825
Molport: MolPort-004-241-207
Enamine: Z14019846
Mcule: MCULE-4876846036
ZereneX: ZX-AV-EM000018...10 total

ref: mol2, SDF, SMILES, flexibase
3.83,7.5,-12.42,2,6,0, 363.502, 3

Similar to: 12620508, 12620510, 12620503,
6579793
 
#64

eMolecules: 3501308
Molport: MolPort-004-121-053
Enamine: Z14020487
Mcule: MCULE-2962919111
ZereneX: ZX-AV-EM000019...10 total

ref: mol2, SDF, SMILES, flexibase
3.59,1.59,-6.95,1,5,0, 344.455, 4

Similar to: 6579799, 6579804, 6579810,
6579799
 
#65

eMolecules: 3501308
Molport: MolPort-004-121-053
Enamine: Z14020487
Mcule: MCULE-2962919111
ZereneX: ZX-AV-EM000019...10 total

ref: mol2, SDF, SMILES, flexibase
3.59,0.42,-7.2,1,5,0, 344.455, 4

Similar to: 6579804, 6579810, 6579793,
6579804
 
#66

eMolecules: 3501308
Molport: MolPort-004-121-053
Enamine: Z14020487
Mcule: MCULE-2962919111
ZereneX: ZX-AV-EM000019...10 total

ref: mol2, SDF, SMILES, flexibase
3.59,0.51,-7.14,1,5,0, 344.455, 4

Similar to: 6579810, 6579793, 6579799,
6579810
 
#67

eMolecules: 3501308
Molport: MolPort-004-121-053
Enamine: Z14020487
Mcule: MCULE-2962919111
ZereneX: ZX-AV-EM000019...10 total

ref: mol2, SDF, SMILES, flexibase
3.59,1.58,-6.94,1,5,0, 344.455, 4

Similar to: 6579793, 6579799, 6579804,
7004547
 
#68

eMolecules: 2884040
Molport: MolPort-004-108-738
Enamine: Z14020675
Mcule: MCULE-6610483321
ZereneX: ZX-AV-EM000020...10 total

ref: mol2, SDF, SMILES, flexibase
3.63,1.11,-6.29,1,4,0, 314.429, 2

Similar to: 7004556, 7004562, 7004569,
7004556
 
#69

eMolecules: 2884040
Molport: MolPort-004-108-738
Enamine: Z14020675
Mcule: MCULE-6610483321
ZereneX: ZX-AV-EM000020...10 total

ref: mol2, SDF, SMILES, flexibase
3.63,0.14,-6.81,1,4,0, 314.429, 2

Similar to: 7004562, 7004569, 7004547,
7004562
 
#70

eMolecules: 2884040
Molport: MolPort-004-108-738
Enamine: Z14020675
Mcule: MCULE-6610483321
ZereneX: ZX-AV-EM000020...10 total

ref: mol2, SDF, SMILES, flexibase
3.63,0.13,-6.8,1,4,0, 314.429, 2

Similar to: 7004569, 7004547, 7004556,
7004569
 
#71

eMolecules: 2884040
Molport: MolPort-004-108-738
Enamine: Z14020675
Mcule: MCULE-6610483321
ZereneX: ZX-AV-EM000020...10 total

ref: mol2, SDF, SMILES, flexibase
3.63,1.13,-6.26,1,4,0, 314.429, 2

Similar to: 7004547, 7004556, 7004562,
3313487
 
#72

eMolecules: 3048790
Molport: MolPort-004-011-511
Enamine: Z14027760
Mcule: MCULE-7089991138
ZereneX: ZX-AV-EM000021...9 total

ref: mol2, SDF, SMILES, flexibase
2.27,-0.57,-16.71,2,7,0, 341.314, 6

Similar to: 7238861,
3313485
 
#73

eMolecules: 3048790
Molport: MolPort-004-011-511
Enamine: Z14027760
Mcule: MCULE-7089991138
ZereneX: ZX-AV-EM000021...9 total

ref: mol2, SDF, SMILES, flexibase
2.27,-0.48,-16.76,2,7,0, 341.314, 6

Similar to: 7238861,
32636523
 
#74

eMolecules: 24064596
Enamine: Z14029781
Mcule: MCULE-9443537673
ZereneX: ZX-AV-EM000022
PubChem: 39881054...7 total

ref: mol2, SDF, SMILES, flexibase
2.88,3.96,-21.23,2,7,0, 375.759, 6

Similar to: 39544416, 25064697, 16005130, 21270465, 21270469, ... 5 in total.
32636524
 
#75

eMolecules: 24064596
Enamine: Z14029781
Mcule: MCULE-9443537673
ZereneX: ZX-AV-EM000022
PubChem: 39881055...7 total

ref: mol2, SDF, SMILES, flexibase
2.88,4.01,-20.03,2,7,0, 375.759, 6

Similar to: 39544416, 25064697, 16005130, 21270465, 21270469, ... 5 in total.
3459648
 
#76

eMolecules: 3706519
Molport: MolPort-004-186-368
Enamine: Z14049677
Mcule: MCULE-6235823533
ZereneX: ZX-AV-EM000023...9 total

ref: mol2, SDF, SMILES, flexibase
2.99,-0.4,-19.75,2,7,0, 389.358, 6

Similar to: 16454974, 16454975, 16455238, 16455239, 16462310, ... 20 in total.
3459644
 
#77

eMolecules: 3706519
Molport: MolPort-004-186-368
Enamine: Z14049677
Mcule: MCULE-6235823533
ZereneX: ZX-AV-EM000023...9 total

ref: mol2, SDF, SMILES, flexibase
2.99,-0.4,-16.49,2,7,0, 389.358, 6

Similar to: 3459648, 4304306, 4304311, 16454974, 16454975, ... 22 in total.
3459654
 
#78

eMolecules: 3622042
Molport: MolPort-004-186-371
Enamine: Z14049681
Mcule: MCULE-1592848840
ZereneX: ZX-AV-EM000024...9 total

ref: mol2, SDF, SMILES, flexibase
2.94,-0.27,-16.88,2,7,0, 389.358, 6

Similar to: 4304313, 4304317, 23298210, 23298213, 25071914, ... 16 in total.
3459651
 
#79

eMolecules: 3622042
Molport: MolPort-004-186-371
Enamine: Z14049681
Mcule: MCULE-1592848840
ZereneX: ZX-AV-EM000024...9 total

ref: mol2, SDF, SMILES, flexibase
2.94,-0.27,-15.76,2,7,0, 389.358, 6

Similar to: 3459654, 4304313, 4304317, 23298210, 23298213, ... 16 in total.
4476652
 
#80

eMolecules: 13479985
Molport: MolPort-005-584-412
Enamine: Z14053215
Mcule: MCULE-6279489320
ZereneX: ZX-AV-EM000025...8 total

ref: mol2, SDF, SMILES, flexibase
2.96,1.09,-15.28,1,6,0, 374.343, 6

Similar to: 4476654, 4477084, 4514666, 4514667, 16455126, ... 9 in total.
4476654
 
#81

eMolecules: 13479985
Molport: MolPort-005-584-412
Enamine: Z14053215
Mcule: MCULE-6279489320
ZereneX: ZX-AV-EM000025...8 total

ref: mol2, SDF, SMILES, flexibase
2.96,1.14,-15.13,1,6,0, 374.343, 6

Similar to: 4477084, 4514666, 4514667, 16455126, ... 9 in total.
2644027
 
#82

eMolecules: 3214098
Molport: MolPort-004-039-045
Enamine: Z14092905
Mcule: MCULE-8042870301
ZereneX: ZX-AV-EM000026...12 total

ref: mol2, SDF, SMILES, flexibase
3.57,6.49,-16.41,2,7,0, 423.803, 6
2644026
 
#83

eMolecules: 3214098
Molport: MolPort-004-039-045
Enamine: Z14092905
Mcule: MCULE-8042870301
ZereneX: ZX-AV-EM000026...12 total

ref: mol2, SDF, SMILES, flexibase
3.57,6.49,-16.38,2,7,0, 423.803, 6
3321268
 
#84

AKOS: AKOS007931943
Mcule: MCULE-2202768559
UORSY: PB14186832
ZereneX: ZX-AV-EM000027
ChemDB: 5411763...8 total

ref: mol2, SDF, SMILES, flexibase
3.05,0.1,-16.54,2,7,0, 369.368, 7

Similar to: 8089342, 8089344,
3321266
 
#85

AKOS: AKOS007931943
Mcule: MCULE-2202768559
UORSY: PB14186832
ZereneX: ZX-AV-EM000027
ChemDB: 5411763...8 total

ref: mol2, SDF, SMILES, flexibase
3.05,0.18,-16.39,2,7,0, 369.368, 7

Similar to: 8089342, 8089344,
9114461
 
#86

eMolecules: 11949001
Molport: MolPort-005-540-196
Enamine: Z14123679
Mcule: MCULE-1012568603
ZereneX: ZX-AV-EM000028...8 total

ref: mol2, SDF, SMILES, flexibase
4.32,-0.9,-6.04,1,4,0, 365.271, 2
3294859
 
#87

eMolecules: 3083656
Molport: MolPort-004-016-080
Enamine: Z14148392
Mcule: MCULE-2092921978
ZereneX: ZX-AV-EM000029...9 total

ref: mol2, SDF, SMILES, flexibase
2.77,-0.15,-18.59,2,7,0, 355.341, 7

Similar to: 7238861, 26380732,
3295152
 
#88

eMolecules: 3083938
Molport: MolPort-004-016-121
Enamine: Z14180178
Mcule: MCULE-1462950408
ZereneX: ZX-AV-EM000030...10 total

ref: mol2, SDF, SMILES, flexibase
2.88,-1.27,-18.14,2,7,0, 401.369, 5

Similar to: 9664459, 9664460, 23538613, 23538618, ... 4 in total.
3295151
 
#89

eMolecules: 3083938
Molport: MolPort-004-016-121
Enamine: Z14180178
Mcule: MCULE-1462950408
ZereneX: ZX-AV-EM000030...10 total

ref: mol2, SDF, SMILES, flexibase
2.88,-1.27,-16.65,2,7,0, 401.369, 5

Similar to: 9664459, 9664460, 23538613, 23538618, ... 4 in total.
3464453
 
#90

eMolecules: 13473230
Molport: MolPort-005-579-502
Enamine: Z14232635
Mcule: MCULE-8858636684
ZereneX: ZX-AV-EM000031...9 total

ref: mol2, SDF, SMILES, flexibase
2.99,5.95,-18.08,2,7,0, 421.375, 7

Similar to: 3464559, 3464562, 3464566, 3464570, 31951997, ... 9 in total.
3464450
 
#91

eMolecules: 13473230
Molport: MolPort-005-579-502
Enamine: Z14232635
Mcule: MCULE-8858636684
ZereneX: ZX-AV-EM000031...9 total

ref: mol2, SDF, SMILES, flexibase
2.99,6.01,-17.89,2,7,0, 421.375, 7

Similar to: 3464453, 3464559, 3464562, 3464566, 3464570, ... 9 in total.
3317889
 
#92

eMolecules: 3168637
Molport: MolPort-004-030-421
Enamine: Z14233164
Mcule: MCULE-2199117803
ZereneX: ZX-AV-EM000032...9 total

ref: mol2, SDF, SMILES, flexibase
2.89,-1.13,-17.6,2,7,0, 443.45, 6
3317888
 
#93

eMolecules: 3168637
Molport: MolPort-004-030-421
Enamine: Z14233164
Mcule: MCULE-2199117803
ZereneX: ZX-AV-EM000032...9 total

ref: mol2, SDF, SMILES, flexibase
2.89,7.51,-21.51,2,7,0, 443.45, 6
3317886
 
#94

eMolecules: 3168637
Molport: MolPort-004-030-421
Enamine: Z14233164
Mcule: MCULE-2199117803
ZereneX: ZX-AV-EM000032...9 total

ref: mol2, SDF, SMILES, flexibase
2.89,-1.12,-17.74,2,7,0, 443.45, 6
3317884
 
#95

eMolecules: 3168637
Molport: MolPort-004-030-421
Enamine: Z14233164
Mcule: MCULE-2199117803
ZereneX: ZX-AV-EM000032...9 total

ref: mol2, SDF, SMILES, flexibase
2.89,-1.15,-17.69,2,7,0, 443.45, 6
3595431
 
#96

AKOS: AKOS007931990
Mcule: MCULE-4408174410
UORSY: PB14310713
ZereneX: ZX-AV-EM000033
Collaborative Drug Discovery: 1173103...8 total

ref: mol2, SDF, SMILES, flexibase
2.26,-1.66,-27.71,3,9,0, 412.393, 6

Similar to: 6899763, 6901503, 8936519, 8936526, ... 4 in total.
3595428
 
#97

AKOS: AKOS007931990
Mcule: MCULE-4408174410
UORSY: PB14310713
ZereneX: ZX-AV-EM000033
Collaborative Drug Discovery: 1173103...8 total

ref: mol2, SDF, SMILES, flexibase
2.26,-1.61,-27.46,3,9,0, 412.393, 6

Similar to: 8936519, 8936526,
13121492
 
#98

eMolecules: 11764963
Molport: MolPort-004-187-384
Enamine: Z14233549
Mcule: MCULE-9626352526
ZereneX: ZX-AV-EM000034...9 total

ref: mol2, SDF, SMILES, flexibase
3.11,7.9,-19.03,1,7,0, 422.359, 7

Similar to: 13121493, 30971902, 30971905,
13121493
 
#99

eMolecules: 11764963
Molport: MolPort-004-187-384
Enamine: Z14233549
Mcule: MCULE-9626352526
ZereneX: ZX-AV-EM000034...9 total

ref: mol2, SDF, SMILES, flexibase
3.11,7.94,-18.83,1,7,0, 422.359, 7

Similar to: 30971902, 30971905, 13121492,
3464470
 
#100

eMolecules: 3523700
Molport: MolPort-004-125-595
Enamine: Z14233726
Mcule: MCULE-4269206462
ZereneX: ZX-AV-EM000035...10 total

ref: mol2, SDF, SMILES, flexibase
3.80,6.92,-17.1,2,7,0, 421.444, 8

Similar to: 3464466,

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 = 602 ) limit 0,100

Smiles were