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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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28373262
 
#1

AfroDb Natural Products: BMC_00052, 17.3.1.20.24, NPR_00051
BindingDB.org: 50155423
ChEMBL12: CHEMBL185425
ChEMBL19: CHEMBL185425
PubChem: 44395951...7 total

ref: mol2, SDF, SMILES, flexibase
3.08,4.04,-14.52,1,4,0, 242.23, 1
hi: mol2, SDF, SMILES, flexibase
3.08,4.83,-47.06,0,4,-1, 241.222, 1

Similar to: 33847956,
14760755
 
#2

AfroDb Natural Products: 17.3.1.20.25
PubChem: 54536756, 23661636
ref: mol2, SDF, SMILES, flexibase
7.31,11.22,-12.73,2,4,0, 392.495, 6
13480348
 
#3

AfroDb Natural Products: 17.3.1.20.26
ChEMBL12: CHEMBL486611
ChEMBL19: CHEMBL486611
PubChem: 10456531
ref: mol2, SDF, SMILES, flexibase
6.36,12.03,-14.11,2,6,0, 452.547, 8
13480351
 
#4

AfroDb Natural Products: 17.3.1.20.29, NPR_00071
PubChem: 10339978
ref: mol2, SDF, SMILES, flexibase
4.51,8.37,-14.42,2,6,0, 384.428, 5
85967818
 
#5

AfroDb Natural Products: 17.31.22.34.
ref: mol2, SDF, SMILES, flexibase
6.12,13.4,-14.14,1,4,0, 418.533, 4
hi: mol2, SDF, SMILES, flexibase
6.12,14.21,-58.83,0,4,-1, 417.525, 4
5193911
 
#6

AfroDb Natural Products: 17.3.1.25.36
TCM Database @ Taiwan: 29940
BindingDB.org: 50240785
ChEMBL12: CHEMBL122890
ChEMBL12 10uM: CHEMBL122890...15 total

ref: mol2, SDF, SMILES, flexibase
1.80,7.87,-13.5,0,1,0, 234.411, 8

Similar to: 13309457, 13309459, 33830680, 34331729, 34381071, ... 7 in total.
14780716
 
#7

AfroDb Natural Products: 17.3.1.32.44
Specs NP (Depleted): AO-229/21213024
ChEMBL12: CHEMBL1169874
ChEMBL19: CHEMBL1169874
Collaborative Drug Discovery: 1026910...9 total

ref: mol2, SDF, SMILES, flexibase
7.27,9.1,-12.31,3,4,0, 392.495, 7
14557836
 
#8

AfroDb Natural Products: 17.3.1.32.45
TCM Database @ Taiwan: 39579
BindingDB.org: 50240945
ChEMBL12: CHEMBL362378
ChEMBL12 10uM: CHEMBL362378...12 total

ref: mol2, SDF, SMILES, flexibase
4.24,6.76,-11.99,2,4,0, 322.36, 3

Similar to: 14557839, 14557848, 15262048, 31749829, 33833762, ... 10 in total.
43069427
 
#9

AfroDb Natural Products: 17.3.1.32.46
BindingDB.org: 50441631
ChEMBL12: CHEMBL561840
ChEMBL19: CHEMBL561840
Collaborative Drug Discovery: 1026926...7 total

ref: mol2, SDF, SMILES, flexibase
4.45,6.74,-12.46,2,4,0, 322.36, 3
hi: mol2, SDF, SMILES, flexibase
4.45,7.51,-47.11,1,4,-1, 321.352, 3

Similar to: 38289974,
15257800
 
#10

AfroDb Natural Products: 17.3.1.38.52
PubChem: 10493702
ref: mol2, SDF, SMILES, flexibase
2.68,5.1,-14.6,1,5,0, 290.315, 4
85594516
 
#11

AfroDb Natural Products: 17.3.1.5.3
ref: mol2, SDF, SMILES, flexibase
5.66,5.03,-23.66,6,9,0, 524.481, 1
hi: mol2, SDF, SMILES, flexibase
5.66,6.02,-70.88,5,9,-1, 523.473, 1
hi: mol2, SDF, SMILES, flexibase
5.66,6.02,-81.36,5,9,-1, 523.473, 1
608186
 
#12

AfroDb Natural Products: 17.3.1.7.7
TCM Database @ Taiwan: tcm03_000731
AK Scientific: W2047
Lab Seeker Building Blocks: SC-19530
Mcule: MCULE-8680934648...26 total

ref: mol2, SDF, SMILES, flexibase
3.55,4.16,-17,3,8,0, 374.345, 6
mid: mol2, SDF, SMILES, flexibase
3.55,4.95,-46.6,2,8,-1, 373.337, 6
hi: mol2, SDF, SMILES, flexibase
3.55,5.73,-110.55,1,8,-2, 372.329, 6

Similar to: 3984003, 5724760, 5833359, 32257299, 34445357, ... 17 in total.
4716567
 
#13

AfroDb Natural Products: 17.3.2.61
MedChem Express: HY-N0903
Oakwood Chemical: 032458
ChEMBL12: CHEMBL400359
ChEMBL19: CHEMBL400359...10 total

ref: mol2, SDF, SMILES, flexibase
4.22,0.41,-10.11,0,5,0, 349.386, 2

Similar to: 38289673, 3645306, 3645308,
900904
 
#14

AfroDb Natural Products: 17.3.2.62
ChemDB: 7549074
KEGG via PubChem: C12200
KEGG-C via PubChem: C12200
PubChem: 443700...6 total

ref: mol2, SDF, SMILES, flexibase
4.22,2.11,-11.85,0,6,0, 405.45, 4
5085289
 
#15

AfroDb Natural Products: 17.3.2.63
ChEMBL12: CHEMBL1253314
ChEMBL19: CHEMBL1253314
ChemDB: 6420495
Food Database: FDB021688...17 total

ref: mol2, SDF, SMILES, flexibase
2.58,-16.01,-17.44,10,12,0, 578.526, 3

Similar to: 5811940, 26490614, 26490620, 26490624, 27746865, ... 12 in total.
85935026
 
#16

AfroDb Natural Products: 17.3.2.64
ref: mol2, SDF, SMILES, flexibase
2.46,-5.74,-18.14,9,11,0, 562.527, 3
1411
 
#17

AfroDb Natural Products: 17.3.3.65
ChemMol: 44011673
eMolecules: 500709
TCM Database @ Taiwan: 25687, tcm03_002971
Acros Organics: 11911...253 total

ref: mol2, SDF, SMILES, flexibase
2.10,3.62,-5.44,1,2,0, 164.204, 3
14725153
 
#18

AfroDb Natural Products: EA_0056, 17.3.4.67
ChEMBL12: CHEMBL453816
ChEMBL19: CHEMBL453816
PubChem: 5378563
ref: mol2, SDF, SMILES, flexibase
2.40,6.03,-12.87,1,6,0, 315.325, 3

Similar to: 34623975, 34623977,
12358789
 
#19

AfroDb Natural Products: 17.3.4.73
TCM Database @ Taiwan: tcm03_006253, tcm03_001474, tcm03_003307, 25889
Acros Organics: 11044
Alfa-Aesar: A16169
Angene Building Blocks: AGN-PC-080YLX...75 total

ref: mol2, SDF, SMILES, flexibase
3.65,3.04,-5.54,0,1,0, 152.237, 4

Similar to: 33841603, 34224528, 1529208, 1531566, 5158457, ... 6 in total.
1529208
 
#20

AfroDb Natural Products: 17.3.4.74
eMolecules: 493765
Molport: MolPort-003-909-614, MolPort-001-783-112
TCM Database @ Taiwan: tcm03_001476, 25878, tcm03_001475
Acros Organics: 11044...152 total

ref: mol2, SDF, SMILES, flexibase
3.65,6.72,-6.07,0,1,0, 152.237, 4

Similar to: 1531566, 5158457, 5359401, 12358789, 33841603, ... 6 in total.
1530331
 
#21

AfroDb Natural Products: 17.3.4.75
TCM Database @ Taiwan: 25888, tcm03_006097
UEFS Natural Products: uefs-96
Acros Organics: 12808
AK Scientific: V0542...74 total

ref: mol2, SDF, SMILES, flexibase
3.99,7.33,-0.89,0,0,0, 136.238, 4

Similar to: 1531533,
4245684
 
#22

AfroDb Natural Products: ABD_UD_002B_1
ChemMol: 30112349
TCM Database @ Taiwan: 26185
AK Scientific: V0191
American Custom Chemicals Corp.: CHM0032613...42 total

ref: mol2, SDF, SMILES, flexibase
0.52,-7.1,-17.74,7,10,0, 432.381, 3

Similar to: 4349745, 4349747, 4349749, 8035295, 13424746, ... 19 in total.
44431354
 
#23

AfroDb Natural Products: ABD_UD_006
TCM Database @ Taiwan: tcm03_000250
ChEMBL12: CHEMBL477336
ChEMBL19: CHEMBL477336
Individual Suppliers: C-183270920...7 total

ref: mol2, SDF, SMILES, flexibase
1.65,-2.61,-11.48,6,7,0, 480.642, 5

Similar to: 34578157, 38233372,
13372804
 
#24

AfroDb Natural Products: ABD_UD_008
PubChem: 16079974
ref: mol2, SDF, SMILES, flexibase
3.52,6.62,-15.77,1,7,0, 381.384, 4

Similar to: 38262415,
13393275
 
#25

AfroDb Natural Products: ABD_UD_010
ChEMBL12: CHEMBL477528, CHEMBL1689184
ChEMBL19: CHEMBL477528, CHEMBL1689184
Food Database: FDB018558
HMDB Food: HMDB39060...11 total

ref: mol2, SDF, SMILES, flexibase
5.57,8.96,-14.33,2,5,0, 372.461, 7

Similar to: 39351049,
14586037
 
#26

AfroDb Natural Products: ABD_UD_012
ChEMBL12: CHEMBL1689183
ChEMBL19: CHEMBL1689183
Food Database: FDB002720
HMDB Endogenous: HMDB30783...9 total

ref: mol2, SDF, SMILES, flexibase
5.60,10.23,-20.31,2,5,0, 372.461, 7
85948413
 
#27

AfroDb Natural Products: ABD_UD_013
ref: mol2, SDF, SMILES, flexibase
0.95,-4.25,-18.54,6,11,0, 462.407, 4
4095704
 
#28

AfroDb Natural Products: ABD_UD_015
Molport: MolPort-020-005-945
TCM Database @ Taiwan: tcm03_004565, 26842
AK Scientific: W1628
American Custom Chemicals Corp.: CHM0030220...30 total

ref: mol2, SDF, SMILES, flexibase
0.52,-7.08,-17.89,7,10,0, 432.381, 3

Similar to: 4349421, 4349424, 4349428, 13136667, 13136668, ... 14 in total.
15258140
 
#29

AfroDb Natural Products: AN_UY_001
ChEMBL12: CHEMBL464342
ChEMBL19: CHEMBL464342
PubChem: 5323527
ref: mol2, SDF, SMILES, flexibase
4.71,6.37,-12.37,2,5,0, 324.332, 3

Similar to: 38248590,
14780240
 
#30

AfroDb Natural Products: AN_UY_003
TCM Database @ Taiwan: 38244
PubChem: 5317656
ref: mol2, SDF, SMILES, flexibase
3.69,3.09,-14,3,6,0, 326.304, 0

Similar to: 35899182, 35899183, 38286696,
14819779
 
#31

AfroDb Natural Products: AN_UY_004
TCM Database @ Taiwan: 38245
PubChem: 5317658
ref: mol2, SDF, SMILES, flexibase
4.83,6.72,-12.38,2,5,0, 326.348, 3
85802256
 
#32

AfroDb Natural Products: AN_UY_005
TCM Database @ Taiwan: 38246
PubChem: 5317659
ref: mol2, SDF, SMILES, flexibase
8.72,12.31,-23.78,3,9,0, 618.638, 4
hi: mol2, SDF, SMILES, flexibase
8.72,13.28,-71.22,2,9,-1, 617.63, 4
hi: mol2, SDF, SMILES, flexibase
8.72,13.37,-79.58,2,9,-1, 617.63, 4
15120680
 
#33

AfroDb Natural Products: AN_UY_012C
TCM Database @ Taiwan: 46306
BindingDB.org: 50325675
ChEMBL12: CHEMBL480158
ChEMBL12 10uM: CHEMBL480158...8 total

ref: mol2, SDF, SMILES, flexibase
6.34,5.63,-12.82,4,6,0, 396.439, 5
5854400
 
#34

AfroDb Natural Products: AN_UY_012D
Molport: MolPort-023-221-573
TCM Database @ Taiwan: 38031
AK Scientific: P165
Ark Pharm Building Blocks: AK111266...29 total

ref: mol2, SDF, SMILES, flexibase
6.07,6.45,-16.73,4,6,0, 396.439, 4
hi: mol2, SDF, SMILES, flexibase
6.07,7.2,-72.36,3,6,-1, 395.431, 4
hi: mol2, SDF, SMILES, flexibase
6.07,6.8,-48.13,3,6,-1, 395.431, 4

Similar to: 34611168, 5849312,
14727623
 
#35

AfroDb Natural Products: AN_UY_012F
ChEMBL12: CHEMBL480167
ChEMBL19: CHEMBL480167
PubChem: 11711264
ref: mol2, SDF, SMILES, flexibase
6.34,7.67,-11.13,3,6,0, 410.466, 5

Similar to: 34029285, 38619091,
14584515
 
#36

AfroDb Natural Products: AN_UY_013_1
TCM Database @ Taiwan: 40217
ChEBI: CHEBI:65511
PubChem: 11703574
ref: mol2, SDF, SMILES, flexibase
5.91,8.31,-11.45,2,5,0, 378.424, 2
13311972
 
#37

AfroDb Natural Products: AN_UY_029_1, AN_UY_014
TCM Database @ Taiwan: 40164
PubChem: 636496
ref: mol2, SDF, SMILES, flexibase
4.47,7.29,-16.17,1,6,0, 380.396, 3
14644461
 
#38

AfroDb Natural Products: AN_UY_015_1
TCM Database @ Taiwan: 41235
Collaborative Drug Discovery: 1025062
Lipidomics: LMPK12111579
PubChem: 15895793...5 total

ref: mol2, SDF, SMILES, flexibase
2.30,0.75,-13.28,3,7,0, 330.292, 3
6018563
 
#39

AfroDb Natural Products: AN_UY_016
ChemMol: 30113641
eMolecules: 5748855
Molport: MolPort-001-741-659
TCM Database @ Taiwan: 27070...28 total

ref: mol2, SDF, SMILES, flexibase
2.38,2.64,-12.54,2,5,0, 284.267, 2
hi: mol2, SDF, SMILES, flexibase
2.64,2.74,-43.59,1,5,-1, 283.259, 2

Similar to: 39289884,
14759061
 
#40

AfroDb Natural Products: AN_UY_016B
Collaborative Drug Discovery: 1022697
Lipidomics: LMPK12050063
PubChem: 15895794
ref: mol2, SDF, SMILES, flexibase
2.05,0.5,-17.62,3,6,0, 300.266, 2
134782
 
#41

AfroDb Natural Products: AN_UY_017_1
ChemDB: 4743015
Collaborative Drug Discovery: 1023587
Lipidomics: LMPK12110058
PubChem: 2802240...7 total

ref: mol2, SDF, SMILES, flexibase
5.15,10.44,-12.72,0,4,0, 344.366, 1
14504006
 
#42

AfroDb Natural Products: AN_UY_020
Collaborative Drug Discovery: 1023589
Lipidomics: LMPK12110060
PubChem: 12305449
SureChEMBL: SCHEMBL5463385...6 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.93,-11.72,0,4,0, 292.29, 2
14677166
 
#43

AfroDb Natural Products: AN_UY_021
PubChem: 15232378
ref: mol2, SDF, SMILES, flexibase
4.00,9.17,-13.08,0,4,0, 292.29, 2
14780903
 
#44

AfroDb Natural Products: AN_UY_022_1
eMolecules: 12799278
Molport: MolPort-005-945-434
AnalytiCon Discovery NP: NP-012232
Sigma Aldrich (Building Blocks): SMB00236|SIGMA...8 total

ref: mol2, SDF, SMILES, flexibase
5.69,6.13,-8.97,3,5,0, 408.494, 5
2004122
 
#45

AfroDb Natural Products: AN_UY_023
ChemDB: 6424282
Collaborative Drug Discovery: 1023216
Lipidomics: LMPK12070025
PubChem: 73649...5 total

ref: mol2, SDF, SMILES, flexibase
3.90,-1.54,-8.53,1,4,0, 322.36, 0
1618678
 
#46

AfroDb Natural Products: AN_UY_024
ChEMBL12: CHEMBL564141
ChEMBL19: CHEMBL1984704
ChemDB: 4915206
Collaborative Drug Discovery: 1023234...11 total

ref: mol2, SDF, SMILES, flexibase
6.72,-0.88,-7.54,2,4,0, 392.495, 4

Similar to: 5854604, 5854625, 43072534,
13485435
 
#47

AfroDb Natural Products: AN_UY_025
Collaborative Drug Discovery: 1023233
Lipidomics: LMPK12070043
PubChem: 11581938
ref: mol2, SDF, SMILES, flexibase
6.73,8.37,-8.34,2,4,0, 392.495, 4

Similar to: 43072534,
5854599
 
#48

AfroDb Natural Products: AN_UY_026
Collaborative Drug Discovery: 1023217
Lipidomics: LMPK12070026
PubChem: 471689
ref: mol2, SDF, SMILES, flexibase
6.16,9.56,-7.99,1,4,0, 390.479, 2

Similar to: 15203440, 15217330, 15217340, 43075100, 43075102, ... 9 in total.
5854604
 
#49

AfroDb Natural Products: AN_UY_027
Collaborative Drug Discovery: 1023201
Lipidomics: LMPK12070010
PubChem: 471690
ref: mol2, SDF, SMILES, flexibase
5.25,8.11,-8.75,1,4,0, 348.398, 2

Similar to: 6119189, 6119190, 6119191, 15203760, 15203774, ... 9 in total.
18825330
 
#50

AfroDb Natural Products: AN_UY_030
ChemMol: 44000384, 97900288, 30100274
eMolecules: 532754
Molport: MolPort-000-003-911
TCM Database @ Taiwan: 26188...192 total

ref: mol2, SDF, SMILES, flexibase
2.27,1.08,-13.3,3,5,0, 270.24, 1

Similar to: 33835369, 33835388, 2149675, 6472605, ... 4 in total.
14417338
 
#51

AfroDb Natural Products: SA_229, AN_UY_032
TCM Database @ Taiwan: 33077
AK Scientific: W1705
BindingDB.org: 50200542
ChEMBL12: CHEMBL238628...14 total

ref: mol2, SDF, SMILES, flexibase
3.95,5.79,-13.65,2,5,0, 336.343, 1

Similar to: 34226319, 39127309, 2578057, 13311944, ... 4 in total.
2578057
 
#52

AfroDb Natural Products: AN_UY_033
TCM Database @ Taiwan: 36708
Collaborative Drug Discovery: 1022954
Lipidomics: LMPK12050340
PubChem: 10384155...5 total

ref: mol2, SDF, SMILES, flexibase
4.76,10.04,-12.64,0,5,0, 364.397, 3

Similar to: 4175465, 5601502, 13311974, 13436958, 13864653, ... 9 in total.
3645832
 
#53

AfroDb Natural Products: AN_UY_034
TCM Database @ Taiwan: 28032, 44754
BindingDB.org: 50394205
ChEMBL19: CHEMBL2159049
Collaborative Drug Discovery: 1022811...9 total

ref: mol2, SDF, SMILES, flexibase
4.72,6.57,-15.44,3,6,0, 422.477, 4

Similar to: 5854420, 14695765, 14695767, 38263678, 38263679, ... 6 in total.
95099511
 
#54

AfroDb Natural Products: AN_UY_035
NPACT Database: NPACT01474
ref: mol2, SDF, SMILES, flexibase
5.89,9.11,-12.01,3,5,0, 420.505, 6
15118974
 
#55

AfroDb Natural Products: AN_UY_039
TCM Database @ Taiwan: 36596
BindingDB.org: 50155419
ChEMBL12: CHEMBL185686
ChEMBL12 10uM: CHEMBL185686...13 total

ref: mol2, SDF, SMILES, flexibase
3.04,3.3,-12.36,2,4,0, 228.203, 0

Similar to: 6525318,
14649032
 
#56

AfroDb Natural Products: AN_UY_040
PubChem: 5479778
ref: mol2, SDF, SMILES, flexibase
2.57,0.34,-12.46,3,7,0, 304.254, 2

Similar to: 35838686,
14435312
 
#57

AfroDb Natural Products: AN_UY_041_1
TCM Database @ Taiwan: 45906
PubChem: 637239
ref: mol2, SDF, SMILES, flexibase
1.93,1.43,-12.12,3,6,0, 374.433, 6

Similar to: 17159145, 38244704, 38426207,
14768735
 
#58

AfroDb Natural Products: AN_UY_046
TCM Database @ Taiwan: 47260
ChEMBL12: CHEMBL479795
ChEMBL19: CHEMBL479795
PubChem: 42645954...6 total

ref: mol2, SDF, SMILES, flexibase
7.70,9.21,-11.04,3,6,0, 462.542, 4
13382721
 
#59

AfroDb Natural Products: AN_UY_049
TCM Database @ Taiwan: 34484
NPACT Database: NPACT01570
PubChem: 10046140
ref: mol2, SDF, SMILES, flexibase
5.48,5.89,-11.17,3,6,0, 394.423, 2
13382725
 
#60

AfroDb Natural Products: AN_UY_050
TCM Database @ Taiwan: 34485
ref: mol2, SDF, SMILES, flexibase
5.91,8.05,-11.38,2,6,0, 410.466, 3
14444870
 
#61

AfroDb Natural Products: BMC_0001
ChEMBL12: CHEMBL445560
ChEMBL19: CHEMBL445560
PubChem: 5326346
ref: mol2, SDF, SMILES, flexibase
4.26,9.93,-10.13,0,3,0, 292.334, 3

Similar to: 38244830,
53296154
 
#62

AfroDb Natural Products: BMC_00010
Aldrich CPR: IDF00007|ALDRICH
Ark Pharm Building Blocks: AK149352
Indofine: 19-870
Sigma Aldrich (Building Blocks): IDF00007|ALDRICH...7 total

ref: mol2, SDF, SMILES, flexibase
1.82,5.3,-9.92,0,3,0, 178.187, 1

Similar to: 39289597,
119983
 
#63

AfroDb Natural Products: BMC_00064, WA_0023, BMC_000104, NA_0034
ChemMol: 30101481, 44001969
eMolecules: 734433, 1935773
Molport: MolPort-001-740-277
TCM Database @ Taiwan: 29198...248 total

ref: mol2, SDF, SMILES, flexibase
1.37,-4.94,-11.51,5,6,0, 290.271, 1

Similar to: 4214953, 14436215, 34331254, 34331255, 34331256, ... 13 in total.
1721693
 
#64

AfroDb Natural Products: BMC_000105
eMolecules: 31705717
Molport: MolPort-019-937-484
TCM Database @ Taiwan: 32876
AK Scientific: W1560...28 total

ref: mol2, SDF, SMILES, flexibase
1.86,-2.86,-9.63,4,5,0, 274.272, 1

Similar to: 1721694, 4096168, 4096169,
40873959
 
#65

AfroDb Natural Products: BMC_000118
ChEMBL12: CHEMBL513802
ChEMBL19: CHEMBL513802
PubChem: 44567152
ref: mol2, SDF, SMILES, flexibase
3.28,3.98,-2.11,2,2,0, 238.371, 1

Similar to: 15254354, 15254357, 15254360, 15254363, ... 4 in total.
15255324
 
#66

AfroDb Natural Products: BMC_000119
ChemDB: 7568017
PubChem: 54266493
ref: mol2, SDF, SMILES, flexibase
4.64,6.64,-1.58,1,1,0, 222.372, 1
4096339
 
#67

AfroDb Natural Products: BMC_00012
eMolecules: 44843902
Molport: MolPort-001-740-423
UEFS Natural Products: uefs-490
AnalytiCon Discovery NP: NP-018395...17 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.61,-7.75,2,3,0, 224.3, 2

Similar to: 4096340, 31970415, 31970417, 32206574, 32206578, ... 21 in total.
28462577
 
#68

AfroDb Natural Products: BMC_00017
TCM Database @ Taiwan: 29529
Chembo Pharma: KB-282683
BindingDB.org: 50183250
ChEMBL12: CHEMBL187504...9 total

ref: mol2, SDF, SMILES, flexibase
5.18,4.08,-39.7,5,10,0, 538.464, 4
hi: mol2, SDF, SMILES, flexibase
5.18,5.09,-85.16,4,10,-1, 537.456, 4
hi: mol2, SDF, SMILES, flexibase
5.18,5.09,-83.72,4,10,-1, 537.456, 4
18185774
 
#69

AfroDb Natural Products: NA_0033, BMC_00019
ChemMol: 30104097, 44003749, 97900290
eMolecules: 524934
TCM Database @ Taiwan: 25810, tcm03_005016
Active BioPharma: 563...137 total

ref: mol2, SDF, SMILES, flexibase
1.97,-0.94,-14.61,4,6,0, 286.239, 1

Similar to: 6567222,
13374323
 
#70

AfroDb Natural Products: BMC_00024
eMolecules: 36554425
Molport: MolPort-001-740-357
AnalytiCon Discovery NP: NP-000452
ChEMBL12: CHEMBL473971...14 total

ref: mol2, SDF, SMILES, flexibase
3.89,12.2,-15.48,2,6,0, 444.531, 11

Similar to: 4878176, 4878187, 4878198, 4878209, ... 4 in total.
2386253
 
#71

AfroDb Natural Products: BMC_00030
TCM Database @ Taiwan: 39250
ChEMBL12: CHEMBL464111
ChEMBL19: CHEMBL464111
NPACT Database: NPACT01399...8 total

ref: mol2, SDF, SMILES, flexibase
2.83,5.19,-12.47,1,4,0, 244.246, 3

Similar to: 33840373, 33847174, 33847663, 33847669, 33847734, ... 9 in total.
31168265
 
#72

AfroDb Natural Products: BMC_00031
PubChem: 16741875, 38361945
ref: mol2, SDF, SMILES, flexibase
4.03,7.02,-11.38,1,3,0, 292.334, 0

Similar to: 34460746,
14887523
 
#73

AfroDb Natural Products: BMC_00032
PubChem: 16741799
ref: mol2, SDF, SMILES, flexibase
4.11,7.21,-9.71,1,3,0, 292.334, 0
14645975
 
#74

AfroDb Natural Products: BMC_00033
TCM Database @ Taiwan: 47878
PubChem: 10472650
SureChEMBL: SCHEMBL571702
ref: mol2, SDF, SMILES, flexibase
2.61,3.16,-16.21,2,7,0, 344.319, 4
58187
 
#75

AfroDb Natural Products: BMC_00047
ChemMol: 44011885
TCM Database @ Taiwan: tcm03_006947
UEFS Natural Products: uefs-55
Acros Organics: 18404...67 total

ref: mol2, SDF, SMILES, flexibase
1.78,4.24,-7.85,1,3,0, 188.182, 0

Similar to: 32252309, 32267317, 34583707, 34616926, 36374066, ... 7 in total.
28456059
 
#76

AfroDb Natural Products: BMC_00051
BindingDB.org: 50155427
ChEMBL12: CHEMBL185788
ChEMBL12 10uM: CHEMBL185788
ChEMBL19: CHEMBL185788...7 total

ref: mol2, SDF, SMILES, flexibase
2.80,1.94,-17.21,2,4,0, 228.203, 0
hi: mol2, SDF, SMILES, flexibase
2.80,2.72,-51.12,1,4,-1, 227.195, 0

Similar to: 34586561, 6093735, 3960642, 6525318, ... 4 in total.
15121024
 
#77

AfroDb Natural Products: NPR_000132, BMC_00060
BindingDB.org: 50217270
ChEMBL12: CHEMBL228337
ChEMBL19: CHEMBL228337
PubChem: 16757392...6 total

ref: mol2, SDF, SMILES, flexibase
3.97,1.07,-12.71,4,6,0, 328.32, 2

Similar to: 39242397, 39269442,
6524916
 
#78

AfroDb Natural Products: BMC_00062
eMolecules: 36095679
TCM Database @ Taiwan: 30415, tcm03_003021, 36598
UEFS Natural Products: uefs-373
AK Scientific: W2635...31 total

ref: mol2, SDF, SMILES, flexibase
2.80,2.83,-10.23,2,4,0, 228.203, 0
hi: mol2, SDF, SMILES, flexibase
2.80,3.56,-58.09,1,4,-1, 227.195, 0
120283
 
#79

AfroDb Natural Products: BMC_0007
ChemMol: 30107897, 44033766
eMolecules: 531186
Molport: MolPort-001-741-377
TCM Database @ Taiwan: tcm03_007115...86 total

ref: mol2, SDF, SMILES, flexibase
2.29,6.3,-12.66,0,3,0, 186.166, 0

Similar to: 6117859, 33903696,
57731
 
#80

AfroDb Natural Products: BMC_0008
ChemMol: 30107796
eMolecules: 493895
Molport: MolPort-000-880-879
TCM Database @ Taiwan: tcm03_005454...93 total

ref: mol2, SDF, SMILES, flexibase
2.28,5.76,-10.08,0,4,0, 216.192, 1

Similar to: 32266790,
15120572
 
#81

AfroDb Natural Products: BMC_00087
TCM Database @ Taiwan: 42497
ref: mol2, SDF, SMILES, flexibase
3.18,8.94,-13.58,1,4,0, 320.429, 8
6256
 
#82

AfroDb Natural Products: BMC_00089
eMolecules: 735214
TCM Database @ Taiwan: tcm03_006539, 28199, 41502
UEFS Natural Products: uefs-427
Specs Natural Products: AK-693/21087012...28 total

ref: mol2, SDF, SMILES, flexibase
3.30,-0.17,-14.48,0,4,0, 275.263, 0

Similar to: 1559632, 14619804,
5063215
 
#83

AfroDb Natural Products: BMC_0009
Aldrich CPR: CDS020505|ALDRICH
Apexmol Building Blocks: AM20040726
Indofine: 19-869
Molport BB: MolPort-000-881-375...12 total

ref: mol2, SDF, SMILES, flexibase
1.29,0.07,-9.75,1,3,0, 164.16, 0

Similar to: 34348602, 34601160, 39289597,
87493012
 
#84

AfroDb Natural Products: BMC_00096
AK Scientific: W2019
Ark Pharm Building Blocks: AK104435
Bide Pharmatech BB: BD235974
Individual Suppliers: UNNAMED00000382...6 total

ref: mol2, SDF, SMILES, flexibase
5.18,3.72,-9.73,3,4,0, 310.349, 3
hi: mol2, SDF, SMILES, flexibase
5.18,4.48,-48.99,2,4,-1, 309.341, 3
6018566
 
#85

AfroDb Natural Products: EA_0014
TCM Database @ Taiwan: 31256
BMRB via PubChem: bmse010082
ChEMBL12: CHEMBL465888
ChEMBL19: CHEMBL465888...13 total

ref: mol2, SDF, SMILES, flexibase
2.13,2.31,-11.21,0,3,0, 192.214, 4

Similar to: 34562566, 39240439, 39382015,
5357841
 
#86

AfroDb Natural Products: EA_0030
Florida Heterocyclic Compounds: 19699
ChemDB: 4676597
PubChem: 40529059, 3781358
Ambinter: Amb10564574...6 total

ref: mol2, SDF, SMILES, flexibase
3.02,2.44,-12.93,0,6,0, 338.315, 2

Similar to: 5357845,
85996205
 
#87

AfroDb Natural Products: EA_0031
ref: mol2, SDF, SMILES, flexibase
3.75,5.42,-10.31,1,6,0, 366.369, 0
15122160
 
#88

AfroDb Natural Products: EA_0032
ChEMBL12: CHEMBL516855
ChEMBL19: CHEMBL516855
PubChem: 11995376
ref: mol2, SDF, SMILES, flexibase
3.83,4,-14.27,2,7,0, 382.368, 1

Similar to: 14559503,
15122165
 
#89

AfroDb Natural Products: EA_0034
ChEMBL12: CHEMBL463002
ChEMBL19: CHEMBL463002
PubChem: 11995377
ref: mol2, SDF, SMILES, flexibase
5.38,6.58,-12.3,3,7,0, 452.503, 5

Similar to: 14559508, 14559514,
14559514
 
#90

AfroDb Natural Products: EA_0035
ChEMBL12: CHEMBL463100
ChEMBL19: CHEMBL463100
PubChem: 11995375
ref: mol2, SDF, SMILES, flexibase
5.17,6.54,-12.25,3,7,0, 452.503, 5

Similar to: 15122163, 15122165, 14559508,
14614051
 
#91

AfroDb Natural Products: EA_0036
ChEMBL12: CHEMBL518081
ChEMBL19: CHEMBL518081
Collaborative Drug Discovery: 1023369
IBM Patent Data: 135885122...8 total

ref: mol2, SDF, SMILES, flexibase
6.12,8.89,-12.18,2,5,0, 422.521, 5
13359285
 
#92

AfroDb Natural Products: EA_0046
ref: mol2, SDF, SMILES, flexibase
5.56,7.76,-10.17,1,5,0, 405.494, 4
13359242
 
#93

AfroDb Natural Products: EA_0048
ChEMBL12: CHEMBL464727
ChEMBL19: CHEMBL464727
PubChem: 11212280, 21578915
ref: mol2, SDF, SMILES, flexibase
5.84,9.96,-11.05,0,5,0, 419.521, 5
13359134
 
#94

AfroDb Natural Products: EA_0053
ChEBI: CHEBI:65407
ChEMBL12: CHEMBL390586
ChEMBL19: CHEMBL390586
PubChem: 21589700...6 total

ref: mol2, SDF, SMILES, flexibase
5.86,10.09,-11.17,0,5,0, 419.521, 5
35525
 
#95

AfroDb Natural Products: EA_0058, NPR_000143
eMolecules: 709090
TCM Database @ Taiwan: tcm03_007768
UEFS Natural Products: uefs-123, uefs-105
AKOS: AKOS004111157...43 total

ref: mol2, SDF, SMILES, flexibase
2.69,2.82,-14.24,0,5,0, 259.261, 3
mid: mol2, SDF, SMILES, flexibase
2.69,3.88,-24.01,1,5,1, 260.269, 3

Similar to: 5998737,
4098841
 
#96

AfroDb Natural Products: SA_222, SA-189, EA_0060
Aldrich CPR: PH002098|ALDRICH
Sequoia Research Products: UNNAMED00000164
ChEMBL12: CHEMBL455628
ChEMBL19: CHEMBL455628...11 total

ref: mol2, SDF, SMILES, flexibase
2.68,7.92,-12.72,0,6,0, 329.352, 4

Similar to: 26647367, 34623975, 34623977,
14721303
 
#97

AfroDb Natural Products: EA_0062
ChEMBL12: CHEMBL451728
ChEMBL19: CHEMBL451728
PubChem: 13970980
ref: mol2, SDF, SMILES, flexibase
2.36,6.25,-13.3,0,7,0, 343.335, 3

Similar to: 32271297,
14506940
 
#98

AfroDb Natural Products: EA_0065
ref: mol2, SDF, SMILES, flexibase
2.94,6.38,-6.16,1,2,0, 201.269, 2
13365959
 
#99

AfroDb Natural Products: EA_0066
ref: mol2, SDF, SMILES, flexibase
7.36,14.65,-8.18,2,2,0, 368.524, 5
2389301
 
#100

AfroDb Natural Products: EA_0067
ChemMol: 96701148, 30200813, 30104741, 97804963, 42301257, 44004218, 2000259, 1036436
eMolecules: 516150
Scientific Exchange (make on demand): F-235322
Acorn PharmaTech: ACN-S002751...85 total

ref: mol2, SDF, SMILES, flexibase
1.93,4.26,-8.56,1,2,0, 145.161, 1

Similar to: 3641069, 34540154, 39275808, 39643289, ... 4 in total.

Old detail retrieval took 3 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 = 731 ) limit 0,100

Smiles were