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30835609
 
#1

eMolecules: 30083322
Scientific Exchange (make on demand): M-618809
Alinda: IBS-L0125192
Mcule: MCULE-1503318772
Princeton BioMolecular Research: OSSL_295159...9 total

ref: mol2, SDF, SMILES, flexibase
4.12,12.17,-12.53,0,7,0, 425.872, 4
2169014
 
#2

eMolecules: 3802643
Scientific Exchange Building Blocks: M-189227
AKOS: AKOS000147177
Alinda: IVK/1269007
Alinda Building Blocks: ALBB-002979...34 total

ref: mol2, SDF, SMILES, flexibase
1.86,-0.6,-7.01,1,3,0, 195.605, 0

Similar to: 31866913,
41095065
 
#3

eMolecules: 30304840
Molport: MolPort-016-899-610
AKOS: AKOS005139363
Enamine: Z45537718
Innovapharm: STT-00109773...11 total

ref: mol2, SDF, SMILES, flexibase
3.97,6.66,-8.29,0,4,0, 311.447, 6

Similar to: 380244, 380246, 380248, 380250, 14227814, ... 5 in total.
41095052
 
#4

eMolecules: 30304830
Molport: MolPort-016-899-612
AKOS: AKOS005139367
Innovapharm: STT-00109781
Mcule: MCULE-4471599752...10 total

ref: mol2, SDF, SMILES, flexibase
5.08,8.74,-9.96,0,4,0, 361.507, 6

Similar to: 193751,
15188316
 
#5

eMolecules: 9985471
Molport: MolPort-002-703-147
Scientific Exchange (make on demand): X-056506
AKOS: AKOS001742997
Alinda: IBS-L0125191...14 total

ref: mol2, SDF, SMILES, flexibase
3.82,12.23,-15.61,0,9,0, 495.967, 5
3669530
 
#6

Molport: MolPort-002-706-030
Scientific Exchange (make on demand): M-814751
AKOS: AKOS001749379
Alinda: IBS-L0033784
BioBlocks: A2075/0087222...15 total

ref: mol2, SDF, SMILES, flexibase
4.68,2.69,-6.15,0,7,0, 318.672, 2
259255
 
#7

eMolecules: 7714744
Scientific Exchange (make on demand): M-814748
AKOS: AKOS001585430
Alinda: IBS-L0033777
ChemDiv: K783-3861...15 total

ref: mol2, SDF, SMILES, flexibase
3.04,3.48,-16.27,0,7,0, 313.331, 9

Similar to: 27956426, 27956429, 27956433, 27956436, 34404187, ... 7 in total.
16227473
 
#8

eMolecules: 30082807
Scientific Exchange (make on demand): M-814873
Alinda: IBS-L0033776
Princeton BioMolecular Research: OSSL_296714
TimTec: ST45026040...8 total

ref: mol2, SDF, SMILES, flexibase
0.18,13.27,-57.15,0,9,1, 503.531, 10
5513116
 
#9

eMolecules: 26801817
Molport: MolPort-001-011-504
Scientific Exchange (make on demand): POD_01/0736
AKOS: AKOS003238191
Alinda: IBS-L0033767...15 total

ref: mol2, SDF, SMILES, flexibase
4.89,1.62,-10.57,1,5,0, 259.24, 4

Similar to: 33844057,
4737693
 
#10

eMolecules: 2336764
Molport: MolPort-002-135-910
Scientific Exchange: POD_64/0150
AKOS: AKOS003244599
Alinda: IBS-L0033765...15 total

ref: mol2, SDF, SMILES, flexibase
3.63,-0.89,-44.98,1,7,-1, 318.696, 4

Similar to: 5944438,
2388859
 
#11

eMolecules: 666545
Molport: MolPort-001-757-820
Scientific Exchange (make on demand): M-814741
AK Scientific: 9116AB
AKOS: AKOS003349293...33 total

ref: mol2, SDF, SMILES, flexibase
1.69,6.51,-15.9,0,5,0, 222.225, 4
1664679
 
#12

ChemMol: 30111512, 44006615, 1034193, 98001052
eMolecules: 498107
Molport: MolPort-001-768-770
Scientific Exchange (make on demand): M-752789
AK Scientific: Q223...72 total

ref: mol2, SDF, SMILES, flexibase
1.50,4.65,-44.38,0,5,-1, 180.139, 2

Similar to: 6091827, 39349423,
36072255
 
#13

ChemMol: 98000953, 44013381, 1203007, 30100507, 97800575
eMolecules: 497820
Molport: MolPort-002-461-928
Acorn PharmaTech: ACN-S003451
Acros Organics: 31037...92 total

ref: mol2, SDF, SMILES, flexibase
1.24,2.34,-7.39,1,5,0, 169.136, 2
hi: mol2, SDF, SMILES, flexibase
5.97,13.34,-43.7,2,9,-1, 637.819, 16

Similar to: 39291310, 39319643,
69294
 
#14

eMolecules: 30082804
Alinda: IBS-L0033736
ChemBridge: 5402596
Maybridge: PD00318
Mcule: MCULE-6536006848...13 total

ref: mol2, SDF, SMILES, flexibase
3.03,2.25,-9.77,0,4,0, 206.245, 3

Similar to: 2579026, 5328387, 32251886, 33844923, ... 4 in total.
1562202
 
#15

ChemMol: 1034356, 98001969
Molport: MolPort-001-760-351
Scientific Exchange (make on demand): Z-098070
AK Scientific: X6950
AKOS: AKOS003239997...39 total

ref: mol2, SDF, SMILES, flexibase
1.68,6.21,-8.93,0,7,0, 210.145, 3

Similar to: 34474965,
16136475
 
#16

eMolecules: 1054175
AKOS: AKOS003627515
Aldrich CPR: S346535|ALDRICH
Alinda: IBS-L0033727
Chembo Pharma: KB-82049...17 total

ref: mol2, SDF, SMILES, flexibase
2.58,6.19,-11.82,0,5,0, 223.228, 4

Similar to: 33848114,
1736289
 
#17

eMolecules: 2722301
Molport: MolPort-002-739-510
Scientific Exchange (make on demand): M-697152
AKOS: AKOS003349400
Alinda: IBS-L0033692...26 total

ref: mol2, SDF, SMILES, flexibase
1.14,4.02,-61.39,1,7,-1, 223.164, 3

Similar to: 34353409, 44199174,
60438
 
#18

eMolecules: 2446680
Molport: MolPort-002-244-603
Scientific Exchange (make on demand): M-697151
AKOS: AKOS001713481
Alinda: IBS-L0033689...19 total

ref: mol2, SDF, SMILES, flexibase
2.59,-1.52,-35.45,1,4,1, 276.385, 3

Similar to: 6985651, 7142133, 7142399, 8052860, 8061787, ... 7 in total.
452709
 
#19

eMolecules: 1605643
Molport: MolPort-001-633-929
Scientific Exchange (make on demand): Q-041810
AKOS: AKOS000119048
Alinda: IBS-L0033640...29 total

ref: mol2, SDF, SMILES, flexibase
2.06,-0.43,-13.86,1,5,0, 240.646, 3

Similar to: 37023468, 37023470, 37113180, 37981361, 37981362, ... 7 in total.
3106002
 
#20

eMolecules: 7569464
Molport: MolPort-002-804-217
Scientific Exchange (make on demand): M-697103
AKOS: AKOS003662864
Alinda: IBS-L0033635...22 total

ref: mol2, SDF, SMILES, flexibase
-0.19,-7.28,-49.21,8,7,1, 278.336, 8

Similar to: 6095861,
1579822
 
#21

eMolecules: 7569464
Molport: MolPort-002-804-217
Scientific Exchange (make on demand): M-697103
AKOS: AKOS003662864
Alinda: IBS-L0033635...44 total

ref: mol2, SDF, SMILES, flexibase
-0.19,-7.28,-49.13,8,7,1, 278.336, 8

Similar to: 6095861,
1599821
 
#22

eMolecules: 1989320
Molport: MolPort-006-150-322
Scientific Exchange (make on demand): M-618775
AKOS: AKOS003662803
Aldrich CPR: R278653|ALDRICH...37 total

ref: mol2, SDF, SMILES, flexibase
1.78,8.69,-88.57,2,2,2, 194.322, 2
mid: mol2, SDF, SMILES, flexibase
1.78,6.21,-31.29,1,2,1, 193.314, 2
hi: mol2, SDF, SMILES, flexibase
1.78,3.72,-3.67,0,2,0, 192.306, 2

Similar to: 32190991, 32218094, 34624918, 34624920, ... 4 in total.
8816541
 
#23

eMolecules: 7707128
Molport: MolPort-004-955-817
Scientific Exchange (make on demand): M-618771
AKOS: AKOS003348794
Alinda: IBS-L0033613...19 total

ref: mol2, SDF, SMILES, flexibase
2.68,1.53,-7.28,0,5,0, 262.059, 3

Similar to: 32270206,
402901
 
#24

eMolecules: 7329124, 33619355
Scientific Exchange (make on demand): M-618768
Aldrich CPR: R416606|ALDRICH
Alfa-Aesar: B21627
Alinda: IBS-L0033609...23 total

ref: mol2, SDF, SMILES, flexibase
3.67,-1.73,-40.99,2,4,1, 341.475, 5
lo: mol2, SDF, SMILES, flexibase
3.67,-1.63,-91.63,3,4,2, 342.483, 5

Similar to: 518276, 1319903, 1319914, 1321355, 3999095, ... 17 in total.
57317
 
#25

eMolecules: 33619355, 7329124
Scientific Exchange (make on demand): M-618768
Aldrich CPR: R416606|ALDRICH
Alfa-Aesar: B21627
Alinda: IBS-L0033609...22 total

ref: mol2, SDF, SMILES, flexibase
3.67,-1.72,-41.05,2,4,1, 341.475, 5

Similar to: 518276, 1319903, 1319914, 1321355, 3999095, ... 17 in total.
12446789
 
#26

eMolecules: 477798, 1971929
Molport: MolPort-001-014-935, MolPort-004-895-147
Scientific Exchange (make on demand): POD_54/0374, R-044694
AKOS: AKOS003245099, AKOS003232003
Alinda: IBS-L0033608...47 total

ref: mol2, SDF, SMILES, flexibase
1.98,0.34,-43.5,1,6,-1, 241.23, 0

Similar to: 39242595,
20608543
 
#27

eMolecules: 46426156
Scientific Exchange (make on demand): POD_45/0251
Alinda: IBS-L0126099
Princeton BioMolecular Research: OSSL_296615
TimTec: ST45000736...7 total

ref: mol2, SDF, SMILES, flexibase
3.55,8.41,-26.42,2,4,1, 234.323, 6
ref: mol2, SDF, SMILES, flexibase
3.55,7.83,-27.65,2,4,1, 234.323, 6
hi: mol2, SDF, SMILES, flexibase
3.55,8.17,-5.1,1,4,0, 233.315, 6

Similar to: 38524557,
5714892
 
#28

eMolecules: 46426154
Scientific Exchange (make on demand): POD_45/0256
Alinda: IBS-L0126098
Mcule: MCULE-3011454218
Princeton BioMolecular Research: OSSL_296614...10 total

ref: mol2, SDF, SMILES, flexibase
4.36,9.35,-29.46,2,4,1, 313.219, 6
ref: mol2, SDF, SMILES, flexibase
4.36,8.55,-31.11,2,4,1, 313.219, 6
hi: mol2, SDF, SMILES, flexibase
4.36,8.8,-4.78,1,4,0, 312.211, 6
5789426
 
#29

eMolecules: 26764088, 46426150
Molport: MolPort-019-763-177
Scientific Exchange (make on demand): POD_45/0296
Alinda: IBS-L0126096
Mcule: MCULE-4468954989...12 total

ref: mol2, SDF, SMILES, flexibase
4.68,9.77,-4.11,2,4,0, 356.64, 5

Similar to: 5480807,
30836001
 
#30

eMolecules: 30083603
Scientific Exchange (make on demand): POD_22/0025
Alinda: IBS-L0126095
Mcule: MCULE-4990588352
Princeton BioMolecular Research: OSSL_296611...9 total

ref: mol2, SDF, SMILES, flexibase
3.89,9.25,-11.79,0,6,0, 315.354, 4
13111245
 
#31

eMolecules: 2379759
Molport: MolPort-002-176-171
Scientific Exchange (make on demand): POD_45/0266
Alinda: IBS-L0126093
ChemBridge: 5928581...15 total

ref: mol2, SDF, SMILES, flexibase
3.10,6.18,-30.76,2,5,1, 262.333, 4
5714898
 
#32

eMolecules: 46426148
Molport: MolPort-001-013-899
Scientific Exchange (make on demand): POD_45/0255
Alinda: IBS-L0126089
American Custom Chemicals Corp.: CHM0256454...13 total

ref: mol2, SDF, SMILES, flexibase
4.00,9.4,-26.12,2,4,1, 248.35, 6
ref: mol2, SDF, SMILES, flexibase
4.00,8.6,-27.84,2,4,1, 248.35, 6
hi: mol2, SDF, SMILES, flexibase
4.00,8.83,-5.11,1,4,0, 247.342, 6
4187053
 
#33

eMolecules: 46426146
Molport: MolPort-001-013-898
Scientific Exchange (make on demand): POD_45/0254
Alinda: IBS-L0126088
Mcule: MCULE-1284510446...11 total

ref: mol2, SDF, SMILES, flexibase
4.23,9.24,-29.29,2,4,1, 268.768, 6
ref: mol2, SDF, SMILES, flexibase
4.23,8.44,-30.99,2,4,1, 268.768, 6
hi: mol2, SDF, SMILES, flexibase
4.23,8.69,-4.92,1,4,0, 267.76, 6

Similar to: 38418172,
5789425
 
#34

eMolecules: 46426144
Molport: MolPort-001-013-906
Scientific Exchange (make on demand): POD_45/0295
AKOS: AKOS003243875
Alinda: IBS-L0126087...10 total

ref: mol2, SDF, SMILES, flexibase
4.81,9.36,-9.24,2,4,0, 401.091, 5
6864246
 
#35

eMolecules: 28148763
Molport: MolPort-001-011-992
Scientific Exchange (make on demand): POD_16/0360
AKOS: AKOS003239025
Alinda: IBS-L0126086...12 total

ref: mol2, SDF, SMILES, flexibase
1.54,-4.07,-11.88,2,5,0, 308.432, 8

Similar to: 7130402, 31545660, 5087355,
6564561
 
#36

eMolecules: 7723906
Molport: MolPort-001-017-231
Scientific Exchange (make on demand): POD_92/0151
AKOS: AKOS003237253
Alinda: IBS-L0126079...11 total

ref: mol2, SDF, SMILES, flexibase
1.81,3.03,-37.89,2,7,-1, 318.382, 5
mid: mol2, SDF, SMILES, flexibase
1.81,3.14,-57.57,3,7,0, 319.39, 5
1644313
 
#37

eMolecules: 788606
Molport: MolPort-001-012-955
Scientific Exchange (make on demand): POD_39/0686
AKOS: AKOS003662635
Alinda: IBS-L0126074...17 total

ref: mol2, SDF, SMILES, flexibase
3.36,7.36,-9.97,0,6,0, 306.343, 4

Similar to: 34423044, 55667981, 55676429, 55687190, ... 4 in total.
20219910
 
#38

eMolecules: 7722387
Molport: MolPort-001-012-968
Scientific Exchange (make on demand): POD_39/0751
AKOS: AKOS003240994
Alinda: IBS-L0126070...11 total

ref: mol2, SDF, SMILES, flexibase
2.90,7.09,-19.93,0,8,0, 366.395, 8

Similar to: 23399897,
22197351
 
#39

eMolecules: 1676890
Scientific Exchange (make on demand): POD_39/0649
Alinda: IBS-L0126067
Mcule: MCULE-2085673219
Princeton BioMolecular Research: OSSL_296585...10 total

ref: mol2, SDF, SMILES, flexibase
3.59,8.26,-19.7,0,8,0, 364.379, 6
30835990
 
#40

eMolecules: 1676888
Scientific Exchange (make on demand): POD_39/0641
Alinda: IBS-L0126066
Mcule: MCULE-6290372324
Princeton BioMolecular Research: OSSL_296584...10 total

ref: mol2, SDF, SMILES, flexibase
3.72,7.04,-10.78,0,6,0, 371.212, 4
30835987
 
#41

eMolecules: 1676877
Scientific Exchange (make on demand): POD_39/0619
Alinda: IBS-L0126065
Mcule: MCULE-9087084207
Princeton BioMolecular Research: OSSL_296583...9 total

ref: mol2, SDF, SMILES, flexibase
4.32,8.5,-13.54,0,6,0, 432.239, 4
3101255
 
#42

eMolecules: 7662092
Molport: MolPort-001-012-956
Scientific Exchange: POD_39/0692
AKOS: AKOS003240873
Alinda: IBS-L0126063...12 total

ref: mol2, SDF, SMILES, flexibase
2.88,-0.58,-32.84,0,8,0, 366.395, 8

Similar to: 23394439, 23399897,
4185212
 
#43

eMolecules: 1680409
Molport: MolPort-001-016-498
Scientific Exchange (make on demand): POD_80/0574
AKOS: AKOS001726603
BioBlocks: A2729/0115864...16 total

ref: mol2, SDF, SMILES, flexibase
3.63,-2.45,-17.94,2,6,0, 378.226, 7

Similar to: 34970519, 4081950,
5074150
 
#44

eMolecules: 1680407
Molport: MolPort-001-016-493
Scientific Exchange (make on demand): POD_80/0566
AKOS: AKOS003236525
Alinda: IBS-L0033589...15 total

ref: mol2, SDF, SMILES, flexibase
4.21,-2.36,-15.47,2,6,0, 412.671, 7
4256452
 
#45

eMolecules: 1018120
Molport: MolPort-001-493-486
Scientific Exchange (make on demand): R-045149
AK Scientific: 8709AD
AKOS: AKOS001028542...36 total

ref: mol2, SDF, SMILES, flexibase
2.20,4.31,-9.24,1,6,0, 210.189, 4

Similar to: 34578698, 34580296,
101893
 
#46

eMolecules: 650750
Molport: MolPort-001-026-829
Scientific Exchange (make on demand): X-010110
AKOS: AKOS000344518
Aldrich CPR: R575348|ALDRICH...23 total

ref: mol2, SDF, SMILES, flexibase
3.56,1.8,-17.36,1,5,0, 270.288, 3

Similar to: 34619856,
3879128
 
#47

ChemMol: 42300070
Molport: MolPort-001-560-303
Scientific Exchange (make on demand): M-118061
AKOS: AKOS003306982
Aldrich CPR: TMT00121|ALDRICH...21 total

ref: mol2, SDF, SMILES, flexibase
3.44,1.23,-9.69,1,7,0, 287.275, 6

Similar to: 7981707, 7981708, 38229412,
3879127
 
#48

Scientific Exchange (make on demand): R-016312
AKOS: AKOS000285977
Aldrich CPR: S433470|ALDRICH
Alinda: IBS-L0033576
Mcule: MCULE-2960298592...17 total

ref: mol2, SDF, SMILES, flexibase
4.18,2.36,-9.82,1,7,0, 273.248, 4

Similar to: 13988621,
3845364
 
#49

Scientific Exchange (make on demand): Z-043790
AKOS: AKOS000286050
Aldrich CPR: S503355|ALDRICH
Alinda: IBS-L0033575
Asinex: BAS00124727...26 total

ref: mol2, SDF, SMILES, flexibase
4.22,2.15,-9.95,1,7,0, 273.248, 4

Similar to: 5391018, 6627375,
5390600
 
#50

Molport: MolPort-001-011-507
Scientific Exchange (make on demand): POD_01/0753
AKOS: AKOS003238216
Alinda: IBS-L0033573
Chembo Pharma: KB-100862...14 total

ref: mol2, SDF, SMILES, flexibase
4.58,2.5,-10.33,1,7,0, 287.275, 4
122186
 
#51

ChemMol: 44015564, 1035594
eMolecules: 479242
Molport: MolPort-001-572-859
Scientific Exchange (make on demand): M-171928
Acorn PharmaTech: ACN-S004616...42 total

ref: mol2, SDF, SMILES, flexibase
3.56,1.71,-5.09,0,3,0, 206.028, 1

Similar to: 5781227, 44250282,
4565291
 
#52

eMolecules: 42849938
Molport: MolPort-002-164-338
Scientific Exchange (make on demand): X-028504
Alinda: IBS-L0125188
Mcule: MCULE-9115532012...11 total

ref: mol2, SDF, SMILES, flexibase
3.46,-0.31,-15.53,2,8,0, 400.822, 7
3877375
 
#53

ChemMol: 42300069
Scientific Exchange (make on demand): POD_01/0759
AK Scientific: 9044AE
AKOS: AKOS000286004
Aldrich CPR: TMT00223|ALDRICH...30 total

ref: mol2, SDF, SMILES, flexibase
3.04,1.12,-10.65,1,7,0, 273.248, 5

Similar to: 7366186, 16738883, 39956407, 39956409, 39956410, ... 5 in total.
4530676
 
#54

Molport: MolPort-001-619-347
Scientific Exchange (make on demand): POD_01/0752
AKOS: AKOS003238205
Aldrich CPR: S80013|ALDRICH, S987956|ALDRICH
Alinda: IBS-L0033562...22 total

ref: mol2, SDF, SMILES, flexibase
3.60,1.85,-10.29,1,7,0, 287.275, 5

Similar to: 8050785, 8050791, 25499981, 25499985, 25778407, ... 7 in total.
4530675
 
#55

Molport: MolPort-001-619-347
Scientific Exchange (make on demand): POD_01/0752
AKOS: AKOS003238205
Aldrich CPR: S987956|ALDRICH, S80013|ALDRICH
Alinda: IBS-L0033562...23 total

ref: mol2, SDF, SMILES, flexibase
3.60,1.88,-10.36,1,7,0, 287.275, 5

Similar to: 4530676, 8050785, 8050791, 25499981, 25499985, ... 8 in total.
3866092
 
#56

eMolecules: 1971804, 8848907
Molport: MolPort-001-486-768, MolPort-002-804-218
Scientific Exchange (make on demand): M-323565, X-075403
AK Scientific: 8743AD
AKOS: AKOS003334262...41 total

ref: mol2, SDF, SMILES, flexibase
1.60,2.76,-30.61,5,3,1, 192.267, 2
128920
 
#57

ChemMol: 44020329
eMolecules: 518637
Scientific Exchange (make on demand): M-618758
AK Scientific: X3230
AKOS: AKOS001122155...67 total

ref: mol2, SDF, SMILES, flexibase
3.06,6.59,-50.18,0,3,-1, 201.201, 2
hi: mol2, SDF, SMILES, flexibase
3.01,6.62,-99.17,7,6,2, 456.656, 15

Similar to: 32265613, 32271971, 34233957, 34466348, 38221018, ... 6 in total.
17878149
 
#58

eMolecules: 757500
Molport: MolPort-001-019-368
Scientific Exchange (make on demand): Z-026651
AKOS: AKOS000265116
Aldrich CPR: CDS017056|ALDRICH...33 total

ref: mol2, SDF, SMILES, flexibase
1.67,6.43,-42.65,1,5,-1, 234.26, 4
hi: mol2, SDF, SMILES, flexibase
1.67,6.23,-104.59,0,5,-2, 233.252, 4

Similar to: 34977902, 34977906, 36524779,
33253
 
#59

eMolecules: 1681183
Molport: MolPort-001-022-719
Scientific Exchange (make on demand): Z-071459
AKOS: AKOS001701375
Alinda: IBS-L0126044...19 total

ref: mol2, SDF, SMILES, flexibase
2.80,1.8,-17.84,0,7,0, 312.281, 5

Similar to: 3598265, 3598289, 4433858, 5814515, 9084987, ... 7 in total.
3598259
 
#60

eMolecules: 1681185
Molport: MolPort-001-022-720
Scientific Exchange (make on demand): Z-071463
AKOS: AKOS001072177
Alinda: IBS-L0033544...15 total

ref: mol2, SDF, SMILES, flexibase
3.43,1.71,-19.19,0,7,0, 346.726, 5

Similar to: 4434074, 15878106,
67225
 
#61

eMolecules: 1681187
Molport: MolPort-001-619-996
Scientific Exchange (make on demand): Z-071469
AKOS: AKOS001701471
Alinda: IBS-L0033542...21 total

ref: mol2, SDF, SMILES, flexibase
4.04,1.87,-13.55,0,6,0, 302.33, 2

Similar to: 34949114,
4456002
 
#62

eMolecules: 1675771
Molport: MolPort-001-029-411
Scientific Exchange (make on demand): X-045018
AKOS: AKOS001743079
Alinda: IBS-L0033533...22 total

ref: mol2, SDF, SMILES, flexibase
3.53,11.04,-14.33,0,6,0, 339.395, 5

Similar to: 8140458, 10519476, 30909341,
16161130
 
#63

Scientific Exchange (make on demand): M-618720
AKOS: AKOS003348411
Alinda: IBS-L0033496
Alinda Building Blocks: ALBB-025605
ChemDiv BuildingBlocks: BB57-6583...15 total

ref: mol2, SDF, SMILES, flexibase
3.91,7.82,-3.81,0,6,0, 265.052, 3

Similar to: 36459580,
1081136
 
#64

ChemMol: 1200647, 98000961, 30101079, 44008711
eMolecules: 498032
Molport: MolPort-001-487-435
Scientific Exchange (make on demand): X-089710
Acros Organics: 33469...67 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.34,-54.7,0,7,-1, 226.164, 4

Similar to: 32264223, 32266225, 39240411, 39281343, 39348570, ... 5 in total.
13470856
 
#65

eMolecules: 1476375
Molport: MolPort-001-505-388
Scientific Exchange (make on demand): T-099119
TCM Database @ Taiwan: 37482, 29661, tcm03_002904
AK Scientific: 5396AE...38 total

ref: mol2, SDF, SMILES, flexibase
1.60,5.16,-9.23,1,4,0, 217.224, 3
hi: mol2, SDF, SMILES, flexibase
2.50,2.97,-45.65,0,4,-1, 216.216, 3

Similar to: 32256065, 33835731, 34464463, 34960546, ... 6 in total.
16267626
 
#66

eMolecules: 7707108
Scientific Exchange (make on demand): M-618717
AKOS: AKOS003349523
Alinda: IBS-L0033486
Alinda Building Blocks: ALBB-023275...15 total

ref: mol2, SDF, SMILES, flexibase
1.47,3.57,-13.63,2,6,0, 258.661, 4

Similar to: 41690625,
5074004
 
#67

eMolecules: 1680405
Molport: MolPort-001-016-492
Scientific Exchange (make on demand): POD_80/0565
AKOS: AKOS003236524
Alinda: IBS-L0033485...15 total

ref: mol2, SDF, SMILES, flexibase
3.60,-2.36,-17.55,2,6,0, 378.226, 7
1177630
 
#68

eMolecules: 2157870
Scientific Exchange (make on demand): Z-041110
AKOS: AKOS003240154
Alinda: IBS-L0126032
BioBlocks: A3511/0148773...21 total

ref: mol2, SDF, SMILES, flexibase
5.14,11.53,-18.93,1,5,0, 406.385, 6
5267394
 
#69

eMolecules: 1801205
Molport: MolPort-000-835-279
Scientific Exchange (make on demand): M-723830
AKOS: AKOS000104003
Alinda: IBS-L0033452...24 total

ref: mol2, SDF, SMILES, flexibase
0.86,6.89,-18.72,0,7,0, 235.199, 2
1730669
 
#70

eMolecules: 734562
Molport: MolPort-004-963-922
Scientific Exchange (make on demand): M-618691
Alinda: IBS-L0033446
Mcule: MCULE-7420458378...26 total

ref: mol2, SDF, SMILES, flexibase
-4.62,-6.11,-77.64,6,6,0, 208.239, 6

Similar to: 2038165, 5501781, 5836947, 5836963, 12362037, ... 10 in total.
1730667
 
#71

eMolecules: 734562
Molport: MolPort-004-963-922
Scientific Exchange (make on demand): M-618691
Alinda: IBS-L0033446
Mcule: MCULE-7420458378...32 total

ref: mol2, SDF, SMILES, flexibase
-4.62,-6.07,-82.73,6,6,0, 208.239, 6

Similar to: 1730669, 2038165, 5501781, 5836947, 5836963, ... 12 in total.
1730666
 
#72

eMolecules: 734562
Molport: MolPort-004-963-922
Scientific Exchange (make on demand): M-618691
Alinda: IBS-L0033446
Mcule: MCULE-7420458378...36 total

ref: mol2, SDF, SMILES, flexibase
-4.62,-6.03,-78.29,6,6,0, 208.239, 6

Similar to: 1730667, 1730669, 5836947, 5836963, 32240796, ... 6 in total.
20160544
 
#73

eMolecules: 30083591
Scientific Exchange: M-618685
AKOS: AKOS003663020
Alinda: IBS-L0126028
Princeton BioMolecular Research: OSSL_296481...11 total

ref: mol2, SDF, SMILES, flexibase
3.53,7.86,-34.38,2,3,1, 270.437, 8
hi: mol2, SDF, SMILES, flexibase
3.53,6.37,-2.41,1,3,0, 269.429, 8

Similar to: 44108768,
37866200
 
#74

eMolecules: 26405605, 939672
AKOS: AKOS000509464
BioBlocks: A2067/0086962
ChemBridge: 5787247
ChemDiv: 3089-0488...24 total

ref: mol2, SDF, SMILES, flexibase
0.87,6.02,-16.05,2,7,0, 354.428, 5

Similar to: 849563, 1831653, 2109437, 2109440, 3999378, ... 9 in total.
37866199
 
#75

eMolecules: 26405605, 939672
AKOS: AKOS000509464
BioBlocks: A2067/0086962
ChemBridge: 5787247
ChemDiv: 3089-0488...24 total

ref: mol2, SDF, SMILES, flexibase
0.87,6.03,-15.41,2,7,0, 354.428, 5

Similar to: 849563, 1831653, 2109437, 2109440, 3999378, ... 9 in total.
19801951
 
#76

eMolecules: 629015
Molport: MolPort-001-834-570
Scientific Exchange (make on demand): M-618684
AKOS: AKOS003348637
Aldrich CPR: R414093|ALDRICH...19 total

ref: mol2, SDF, SMILES, flexibase
3.39,9.87,-35.38,1,4,1, 355.502, 10
hi: mol2, SDF, SMILES, flexibase
3.39,7.58,-6.63,0,4,0, 354.494, 10

Similar to: 39593937, 5377571,
2566598
 
#77

eMolecules: 629179
Molport: MolPort-001-838-147
Scientific Exchange (make on demand): M-618683
AK Scientific: 4540AD
AKOS: AKOS000352584...32 total

ref: mol2, SDF, SMILES, flexibase
2.96,8.92,-6.65,0,4,0, 220.272, 5

Similar to: 32236541,
1421055
 
#78

eMolecules: 25980439
Molport: MolPort-002-725-371
Scientific Exchange (make on demand): M-618667
AKOS: AKOS002528661
Alinda: IBS-L0033413...18 total

ref: mol2, SDF, SMILES, flexibase
2.05,0.78,-53.33,0,5,-1, 269.28, 3
36094582
 
#79

eMolecules: 46426124
Molport: MolPort-009-193-202
Princeton BioMolecular Research: OSSL_296456
TimTec: ST45024571
Alinda (Depleted): IBS-L0033407...7 total

ref: mol2, SDF, SMILES, flexibase
3.75,10.2,-119.54,2,7,-1, 354.367, 7
lo: mol2, SDF, SMILES, flexibase
3.75,11.34,-95.99,2,7,-1, 354.367, 7
8461952
 
#80

ChemMol: 97602181
eMolecules: 969813, 29619083
Molport: MolPort-021-795-057, MolPort-000-000-522
Scientific Exchange (make on demand): M-618654
AK Scientific: 8261AB...71 total

ref: mol2, SDF, SMILES, flexibase
1.00,2.77,-37.59,3,3,0, 165.192, 2

Similar to: 8462000, 31518966, 3677087, 3677088, ... 4 in total.
8462000
 
#81

ChemMol: 97603264, 44018307
eMolecules: 29619083, 969813
Molport: MolPort-000-000-522
Scientific Exchange (make on demand): M-618654
AK Scientific: 8261AB...79 total

ref: mol2, SDF, SMILES, flexibase
1.00,2.75,-38.36,3,3,0, 165.192, 2

Similar to: 31518966, 8461952,
16249869
 
#82

eMolecules: 27280338
Scientific Exchange: M-618635
AKOS: AKOS003346279
Alinda: IBS-L0126016
Mcule: MCULE-5576367064...9 total

ref: mol2, SDF, SMILES, flexibase
4.25,11.07,-8.18,0,7,0, 409.486, 5
ref: mol2, SDF, SMILES, flexibase
4.25,9.79,-10.67,0,7,0, 409.486, 5
16384180
 
#83

eMolecules: 43447411
Scientific Exchange (make on demand): M-618633
AKOS: AKOS003346165
Alinda: IBS-L0033383
Alinda Building Blocks: ALBB-023263...15 total

ref: mol2, SDF, SMILES, flexibase
2.90,5.64,-6.5,0,4,0, 220.011, 2
5945856
 
#84

eMolecules: 1108242
Molport: MolPort-001-015-242
Scientific Exchange (make on demand): POD_57/0056
AKOS: AKOS003243269
Alinda: IBS-L0033377...11 total

ref: mol2, SDF, SMILES, flexibase
3.97,0.06,-18.19,1,5,0, 300.358, 3
464469
 
#85

eMolecules: 2210294
Molport: MolPort-001-562-635
Scientific Exchange (make on demand): M-130304
AKOS: AKOS003304155
Alinda: IBS-L0147871...19 total

ref: mol2, SDF, SMILES, flexibase
4.65,9.72,-15.17,1,4,0, 303.402, 7

Similar to: 34553590, 42171531, 42171534,
5569968
 
#86

Molport: MolPort-001-838-149
Scientific Exchange (make on demand): M-618629
AKOS: AKOS003346055
Aldrich CPR: R415537|ALDRICH
Alinda: IBS-L0033374...20 total

ref: mol2, SDF, SMILES, flexibase
2.14,2.46,-8.48,0,9,0, 295.251, 5

Similar to: 39306413, 39306420, 39306423, 39306432, 39306436, ... 5 in total.
5569966
 
#87

Molport: MolPort-001-838-149
Scientific Exchange (make on demand): M-618629
AKOS: AKOS003346055
Aldrich CPR: R415537|ALDRICH
Alinda: IBS-L0033374...20 total

ref: mol2, SDF, SMILES, flexibase
2.14,2.06,-14.3,0,9,0, 295.251, 5

Similar to: 39306413, 39306420, 39306423, 39306432, 39306436, ... 5 in total.
122188
 
#88

eMolecules: 666333
Molport: MolPort-001-801-726
Scientific Exchange (make on demand): M-323354
AKOS: AKOS003334649
Aldrich CPR: R701017|ALDRICH...20 total

ref: mol2, SDF, SMILES, flexibase
4.96,3.15,-7.58,0,4,0, 285.343, 5

Similar to: 34220741,
16450314
 
#89

eMolecules: 7704231, 45489996, 1824634
Molport: MolPort-001-761-258
Scientific Exchange (make on demand): M-125406, M-323353
AKOS: AKOS002224830
Alfa-Aesar: B20198...62 total

ref: mol2, SDF, SMILES, flexibase
0.95,5.29,-26.21,7,5,1, 212.664, 4
ref: mol2, SDF, SMILES, flexibase
0.82,5.33,-26.77,7,5,1, 212.664, 3
mid: mol2, SDF, SMILES, flexibase
0.95,5.81,-4.83,6,5,0, 211.656, 4
mid: mol2, SDF, SMILES, flexibase
0.95,5.27,-8.52,6,5,0, 211.656, 4
lo: mol2, SDF, SMILES, flexibase
0.82,5.26,-7.27,6,5,0, 211.656, 3
lo: mol2, SDF, SMILES, flexibase
0.82,5.22,-38.93,7,5,1, 212.664, 3
lo: mol2, SDF, SMILES, flexibase
0.82,5.19,-94.87,8,5,2, 213.672, 3
lo: mol2, SDF, SMILES, flexibase
0.82,5.7,-33.05,7,5,1, 212.664, 3
lo: mol2, SDF, SMILES, flexibase
0.82,5.54,-11.17,6,5,0, 211.656, 3

Similar to: 89361,
1666842
 
#90

Molport: MolPort-001-830-078
Scientific Exchange (make on demand): M-317732
AKOS: AKOS003334083
Aldrich CPR: S368652|ALDRICH
Alinda: IBS-L0033357...19 total

ref: mol2, SDF, SMILES, flexibase
4.16,3.11,-10.86,0,6,0, 270.244, 4

Similar to: 2170536, 4578622,
1577054
 
#91

ChemMol: 1203274, 98001320
eMolecules: 485129
Molport: MolPort-002-462-167
Scientific Exchange (make on demand): M-323545, X-048271
Acros Organics: 43607...196 total

ref: mol2, SDF, SMILES, flexibase
-1.55,-2.29,-43.22,1,4,-1, 173.169, 1

Similar to: 39235676, 1542934,
3669061
 
#92

eMolecules: 7732470
Molport: MolPort-001-023-184
Scientific Exchange (make on demand): Z-074711
AKOS: AKOS001746212
Alinda: IBS-L0033333...11 total

ref: mol2, SDF, SMILES, flexibase
6.39,5.56,-8.88,0,4,0, 373.33, 6
35877357
 
#93

eMolecules: 2504955
Molport: MolPort-002-290-935
Scientific Exchange (make on demand): M-317718
AKOS: AKOS003333735
Alinda: IBS-L0033324...18 total

ref: mol2, SDF, SMILES, flexibase
2.31,4.65,-17.05,1,6,0, 211.173, 4

Similar to: 44200564, 44200565, 348841,
122863
 
#94

eMolecules: 666754
Molport: MolPort-003-899-997
Scientific Exchange (make on demand): M-317716
AKOS: AKOS003333734
Aldrich CPR: R703575|ALDRICH...16 total

ref: mol2, SDF, SMILES, flexibase
1.02,-3.88,-24.88,3,7,0, 254.271, 5

Similar to: 8302453,
16384168
 
#95

Scientific Exchange (make on demand): M-317714
AKOS: AKOS003333733
Alinda: IBS-L0126013
Mcule: MCULE-5427795463
Princeton BioMolecular Research: OSSL_296408...11 total

ref: mol2, SDF, SMILES, flexibase
1.58,5.23,-100.82,0,9,-2, 226.1, 3
3087213
 
#96

eMolecules: 2893172
Molport: MolPort-001-028-079
Scientific Exchange (make on demand): X-022092
AKOS: AKOS002935560
Alinda: IBS-L0033310...14 total

ref: mol2, SDF, SMILES, flexibase
4.19,2.8,-16.14,0,6,0, 344.326, 3
362461
 
#97

eMolecules: 1159267
Molport: MolPort-001-013-952
Scientific Exchange (make on demand): POD_47/0272
AKOS: AKOS000728022
Alinda: IBS-L0033309...19 total

ref: mol2, SDF, SMILES, flexibase
3.03,2.58,-15.81,0,6,0, 282.255, 2

Similar to: 8434236, 8434732,
6576220
 
#98

eMolecules: 508049
Molport: MolPort-003-720-925
Scientific Exchange (make on demand): POD_45/0829
AKOS: AKOS000637737, AKOS001571144
Alfa-Aesar: A12221...48 total

ref: mol2, SDF, SMILES, flexibase
1.61,6.26,-46.05,0,6,-1, 206.133, 1

Similar to: 34579066,
294736
 
#99

ChemMol: 44004453, 30105173
eMolecules: 503720
Molport: MolPort-000-003-405
Scientific Exchange (make on demand): POD_66/0915
Acros Organics: 11756...72 total

ref: mol2, SDF, SMILES, flexibase
3.45,10.77,-106.31,0,4,-2, 304.348, 5

Similar to: 6485384, 38524763, 39307033,
121127
 
#100

eMolecules: 653113
Molport: MolPort-001-026-743
Scientific Exchange (make on demand): X-009852
AKOS: AKOS002516630
Aldrich CPR: R588954|ALDRICH...25 total

ref: mol2, SDF, SMILES, flexibase
3.37,0.97,-15.15,1,5,0, 276.679, 3

Similar to: 5771748, 5943767, 6272187, 6336856, 6524641, ... 6 in total.

Old detail retrieval took 2 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 = 315 ) limit 0,100

Smiles were