ZINC ID
| Supplier information; Representations Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB Annotations; Similarity | Structure
Click for quick 3D display |
Done
95884491 #1
 
| Sweetlead: SW02903 ref: mol2,
SDF,
SMILES,
flexibase 1.30,3.05,-11.28,3,5,0, 390.52, 2
|  |
95884490 #2
 
| Sweetlead: SW02903 ref: mol2,
SDF,
SMILES,
flexibase 1.30,3.68,-12.26,3,5,0, 390.52, 2
|  |
95884489 #3
 
| Sweetlead: SW02903 ref: mol2,
SDF,
SMILES,
flexibase 1.30,2.88,-12.14,3,5,0, 390.52, 2
|  |
95884488 #4
 
| Sweetlead: SW02903 ref: mol2,
SDF,
SMILES,
flexibase 1.30,2.85,-11.46,3,5,0, 390.52, 2
|  |
95884487 #5
 
| Sweetlead: SW02901 ref: mol2,
SDF,
SMILES,
flexibase 2.74,11.08,-49.44,1,6,1, 390.5, 2
|  |
95884486 #6
 
| Sweetlead: SW02901 ref: mol2,
SDF,
SMILES,
flexibase 2.74,11.86,-60.53,1,6,1, 390.5, 2
|  |
95884485 #7
 
| Sweetlead: SW02901 ref: mol2,
SDF,
SMILES,
flexibase 2.74,11.05,-60.51,1,6,1, 390.5, 2
|  |
95884483 #8
 
| Sweetlead: SW02901 ref: mol2,
SDF,
SMILES,
flexibase 2.74,11.21,-54.58,1,6,1, 390.5, 2
|  |
95616600 #9
 
| eMolecules: 594884, 902550 AK Scientific: H977 Chembo Pharma: KB-278210, KB-147102 Element Store BB: b2star-63590-64-7 Enamine: Z1172269406...66 total
|  |
95616599 #10
 
| eMolecules: 594884, 902550 AK Scientific: H977 Chembo Pharma: KB-147102, KB-278210 Element Store BB: b2star-63590-64-7 Enamine: Z1172269406...61 total
|  |
33830018 #11
 
| Sweetlead: SW02857 ref: mol2,
SDF,
SMILES,
flexibase 3.75,11.42,-41.48,2,3,1, 386.6, 2
Similar to: 13380807, 13380808, 13380809, 13380810, ... 4 in total.
|  |
33830017 #12
 
| Sweetlead: SW02857 ref: mol2,
SDF,
SMILES,
flexibase 3.75,9.91,-40.03,2,3,1, 386.6, 2
Similar to: 13380807, 13380808, 13380809, 13380810, ... 4 in total.
|  |
33830016 #13
 
| Sweetlead: SW02857 ref: mol2,
SDF,
SMILES,
flexibase 3.75,11.42,-41.49,2,3,1, 386.6, 2
Similar to: 13380807, 13380808, 13380809, 13380810, ... 4 in total.
|  |
33753852 #14
 
| Sweetlead: SW02844 ref: mol2,
SDF,
SMILES,
flexibase 3.80,8.19,-43.64,3,6,1, 385.484, 5 mid: mol2,
SDF,
SMILES,
flexibase 3.80,6.08,-10.72,2,6,0, 384.476, 5
Similar to: 13473307,
|  |
33830336 #15
 
| Sweetlead: SW02817 ref: mol2,
SDF,
SMILES,
flexibase 2.60,8.98,-30.54,2,6,1, 383.468, 5 hi: mol2,
SDF,
SMILES,
flexibase 2.60,6.95,-10.37,1,6,0, 382.46, 5
Similar to: 36378782, 36378783, 36378784, 36378785, ... 6 in total.
|  |
55300970 #16
 
| TimTec Natural Derivatives: ST077166 Collaborative Drug Discovery: 45469 Sweetlead: SW02816 The Broad via PubChem: BRD-A07616163-001-01-4
|  |
55300969 #17
 
| TimTec Natural Derivatives: ST077166 Collaborative Drug Discovery: 45469 Sweetlead: SW02816 The Broad via PubChem: BRD-A07616163-001-01-4
|  |
55300968 #18
 
| eMolecules: 2566944 AK Scientific: W1045 IBScreen NP: STOCK1N-13173 Pharmeks: PHAR033928 Specs Natural Products: AH-214/21197002...12 total
|  |
53178267 #19
 
| TimTec Natural Derivatives: ST077166 ChEMBL12: CHEMBL487132 ChEMBL19: CHEMBL487132 Collaborative Drug Discovery: 45469 Leadscope via PubChem: LS-83898...7 total
|  |
95616601 #20
 
| eMolecules: 670703, 531061 AK Scientific: H764 Aldrich CPR: R736384|ALDRICH Ark Pharm Building Blocks: AK116466 BioSynth: W-107719...73 total
|  |
14413755 #21
 
| Sweetlead: SW02808 ref: mol2,
SDF,
SMILES,
flexibase -1.97,5.29,-8.66,0,6,0, 381.856, 3
|  |
95884482 #22
 
| Sweetlead: SW02792 ref: mol2,
SDF,
SMILES,
flexibase 0.21,6.07,-56.47,2,6,1, 381.452, 0 mid: mol2,
SDF,
SMILES,
flexibase 0.21,4.6,-10.44,1,6,0, 380.444, 0
|  |
95884481 #23
 
| Sweetlead: SW02792 ref: mol2,
SDF,
SMILES,
flexibase 0.21,6.17,-65.04,2,6,1, 381.452, 0 mid: mol2,
SDF,
SMILES,
flexibase 0.21,4.95,-14.12,1,6,0, 380.444, 0
|  |
95884480 #24
 
| Sweetlead: SW02792 ref: mol2,
SDF,
SMILES,
flexibase 0.21,6.61,-62.72,2,6,1, 381.452, 0 mid: mol2,
SDF,
SMILES,
flexibase 0.21,6.06,-13.87,1,6,0, 380.444, 0
|  |
95884479 #25
 
| Sweetlead: SW02792 ref: mol2,
SDF,
SMILES,
flexibase 0.21,5.2,-49.68,2,6,1, 381.452, 0 mid: mol2,
SDF,
SMILES,
flexibase 0.21,2.8,-9.61,1,6,0, 380.444, 0
|  |
33830536 #26
 
| Sweetlead: SW02782 ref: mol2,
SDF,
SMILES,
flexibase 0.24,-2.43,-10.83,5,6,0, 380.481, 1
Similar to: 36375141, 36375144, 36375147,
|  |
33830535 #27
 
| Sweetlead: SW02782 ref: mol2,
SDF,
SMILES,
flexibase 0.24,-1.69,-9.65,5,6,0, 380.481, 1
Similar to: 36375141, 36375144, 36375147,
|  |
3861440 #28
 
| eMolecules: 487691 Molport: MolPort-003-894-890 AK Scientific: T805 Alfa-Aesar: A12181 American Custom Chemicals Corp.: CHM0032193...34 total
ref: mol2,
SDF,
SMILES,
flexibase 6.80,12.45,-11.65,1,5,0, 380.451, 4 ref: mol2,
SDF,
SMILES,
flexibase 7.99,9.26,-10.55,1,5,0, 380.451, 4 ref: mol2,
SDF,
SMILES,
flexibase 7.99,9.35,-11,1,5,0, 380.451, 4
Similar to: 5781302, 6439812,
|  |
95884478 #29
 
| Sweetlead: SW02767 ref: mol2,
SDF,
SMILES,
flexibase -2.40,-9.75,-12.29,7,10,0, 378.374, 3
|  |
95884477 #30
 
| Sweetlead: SW02767 ref: mol2,
SDF,
SMILES,
flexibase -2.40,-11.46,-13.82,7,10,0, 378.374, 3
|  |
95884476 #31
 
| Sweetlead: SW02767 ref: mol2,
SDF,
SMILES,
flexibase -2.40,-10.8,-13.91,7,10,0, 378.374, 3
|  |
95884475 #32
 
| Sweetlead: SW02767 ref: mol2,
SDF,
SMILES,
flexibase -2.40,-12.02,-15.91,7,10,0, 378.374, 3
|  |
53070713 #33
 
| Enolase via KEGG (EFI): C06977_8 AK Scientific: K298, H531 Aldrich CPR: CDS020548|ALDRICH American Custom Chemicals Corp.: AAA0007725 APIChem: AC-920...72 total
|  |
38197764 #34
 
| eMolecules: 901933 Molport: MolPort-020-179-984 AK Scientific: O378 Alinda Building Blocks: ALBB-028535 APIChem: AC-1944...106 total
mid: mol2,
SDF,
SMILES,
flexibase -0.04,7.05,-52.32,3,7,1, 376.408, 4 mid: mol2,
SDF,
SMILES,
flexibase -2.78,7.73,-77.5,3,7,1, 376.408, 3 hi: mol2,
SDF,
SMILES,
flexibase -0.04,7.83,-63.43,1,7,-1, 374.392, 4
|  |
597048 #35
 
| Anward: ANW-44670 Ark Pharm Building Blocks: AK-56852 BePharm Building Blocks: B41232 BOC Sciences BB: 123663-49-0 Oakwood Chemical: 213725...19 total
ref: mol2,
SDF,
SMILES,
flexibase 2.51,1.76,-42.1,3,8,1, 375.382, 4 mid: mol2,
SDF,
SMILES,
flexibase 1.88,3.14,-23.66,2,8,0, 374.374, 5
Similar to: 34351092, 34351099, 34351111, 34351189, ... 4 in total.
|  |
33830022 #36
 
| Sweetlead: SW02720 ref: mol2,
SDF,
SMILES,
flexibase 3.51,9.88,-45.29,3,3,1, 372.573, 2
Similar to: 4945974, 4945975, 4945977, 4945978, 14917583, ... 6 in total.
|  |
33830021 #37
 
| Sweetlead: SW02720 ref: mol2,
SDF,
SMILES,
flexibase 3.51,8.78,-43.54,3,3,1, 372.573, 2
Similar to: 4945974, 4945975, 4945977, 4945978, 14917583, ... 6 in total.
|  |
33830020 #38
 
| Sweetlead: SW02720 ref: mol2,
SDF,
SMILES,
flexibase 3.51,9.84,-45.37,3,3,1, 372.573, 2
|  |
53226781 #39
 
| Enolase via KEGG (EFI): C07706_32 Molport: MolPort-003-666-611 AK Scientific: I553, V2111 American Custom Chemicals Corp.: API0003795 APIChem: AC-18420...70 total
|  |
26846068 #40
 
| ChEMBL12: CHEMBL326900 ChEMBL19: CHEMBL326900 KEGG via PubChem: C16971 KEGG-C via PubChem: C16971 Leadscope via PubChem: LS-55031...6 total
ref: mol2,
SDF,
SMILES,
flexibase 3.83,11.14,-37.61,2,5,1, 367.469, 5 mid: mol2,
SDF,
SMILES,
flexibase 3.83,9.18,-9.01,1,5,0, 366.461, 5
Similar to: 33772490, 33772491, 33772492, 33772493, 33831393, ... 12 in total.
|  |
33829749 #41
 
| Sweetlead: SW02645 ref: mol2,
SDF,
SMILES,
flexibase 1.37,-1.51,-8.91,5,5,0, 366.498, 1
Similar to: 44405948, 17147939, 17147941, 17147937, 16968866, ... 9 in total.
|  |
33829748 #42
 
| Sweetlead: SW02645 ref: mol2,
SDF,
SMILES,
flexibase 1.37,-1.39,-8.27,5,5,0, 366.498, 1
Similar to: 44405948, 17147939, 17147941, 17147937, 16968866, ... 9 in total.
|  |
33829747 #43
 
| Sweetlead: SW02645 ref: mol2,
SDF,
SMILES,
flexibase 1.37,-2.95,-7.55,5,5,0, 366.498, 1
|  |
33829746 #44
 
| Sweetlead: SW02645 ref: mol2,
SDF,
SMILES,
flexibase 1.37,-1.56,-10.29,5,5,0, 366.498, 1
Similar to: 44405948, 17147939, 17147941, 17147937, 16968866, ... 9 in total.
|  |
95884474 #45
 
| Sweetlead: SW02635 ref: mol2,
SDF,
SMILES,
flexibase 1.87,7.11,-54.1,1,5,1, 365.453, 1
|  |
95884473 #46
 
| Sweetlead: SW02635 ref: mol2,
SDF,
SMILES,
flexibase 1.87,7.42,-54.43,1,5,1, 365.453, 1
|  |
33832294 #47
 
| Sweetlead: SW02625 ref: mol2,
SDF,
SMILES,
flexibase 1.19,0.2,-10.74,4,5,0, 364.482, 1
Similar to: 36375141, 36375144, 36375147,
|  |
33832293 #48
 
| Sweetlead: SW02625 ref: mol2,
SDF,
SMILES,
flexibase 1.19,1.71,-5.98,4,5,0, 364.482, 1
Similar to: 36375141, 36375144, 36375147,
|  |
95884471 #49
 
| Sweetlead: SW02624 ref: mol2,
SDF,
SMILES,
flexibase 1.19,1.67,-9.6,4,5,0, 364.482, 1
|  |
95884470 #50
 
| Sweetlead: SW02624 ref: mol2,
SDF,
SMILES,
flexibase 1.19,0.11,-12.19,4,5,0, 364.482, 1
|  |
95884468 #51
 
| Sweetlead: SW02624 ref: mol2,
SDF,
SMILES,
flexibase 1.19,1.02,-7.86,4,5,0, 364.482, 1
|  |
95884466 #52
 
| Sweetlead: SW02624 ref: mol2,
SDF,
SMILES,
flexibase 1.19,2.23,-12.07,4,5,0, 364.482, 1
|  |
95884464 #53
 
| Sweetlead: SW02623 ref: mol2,
SDF,
SMILES,
flexibase 1.19,1.95,-8.17,4,5,0, 364.482, 1
|  |
95884463 #54
 
| Sweetlead: SW02623 ref: mol2,
SDF,
SMILES,
flexibase 1.19,-0.04,-8.64,4,5,0, 364.482, 1
|  |
95884462 #55
 
| Sweetlead: SW02623 ref: mol2,
SDF,
SMILES,
flexibase 1.19,0.2,-7.56,4,5,0, 364.482, 1
|  |
95884461 #56
 
| Sweetlead: SW02623 ref: mol2,
SDF,
SMILES,
flexibase 1.19,0.68,-9.94,4,5,0, 364.482, 1
|  |
32146720 #57
 
| Sweetlead: SW02606 ref: mol2,
SDF,
SMILES,
flexibase 4.55,10.53,-46.05,2,3,1, 362.493, 3 mid: mol2,
SDF,
SMILES,
flexibase 4.55,8.73,-9.5,1,3,0, 361.485, 3
Similar to: 32146726,
|  |
95884459 #58
 
| Sweetlead: SW02603 ref: mol2,
SDF,
SMILES,
flexibase 0.25,3.23,-39.67,3,6,1, 362.446, 3 mid: mol2,
SDF,
SMILES,
flexibase 0.25,3.76,-60.75,2,6,0, 361.438, 3 mid: mol2,
SDF,
SMILES,
flexibase 0.25,1,-8.05,2,6,0, 361.438, 3
|  |
4096261 #59
 
| Molport: MolPort-006-124-300 American Custom Chemicals Corp.: PEP0003479 Bachem: H-4915 BioSynth: W-107333 Bosche Scientific: P6419...60 total
ref: mol2,
SDF,
SMILES,
flexibase -2.03,0.18,-23.59,5,10,0, 362.39, 6 mid: mol2,
SDF,
SMILES,
flexibase -2.03,0.01,-48.98,6,10,1, 363.398, 6 mid: mol2,
SDF,
SMILES,
flexibase -1.91,-8.71,-54.13,6,10,1, 363.398, 6 mid: mol2,
SDF,
SMILES,
flexibase -1.91,-10.03,-22.33,5,10,0, 362.39, 6 mid: mol2,
SDF,
SMILES,
flexibase -1.91,-9.27,-22.9,5,10,0, 362.39, 6 mid: mol2,
SDF,
SMILES,
flexibase -1.91,-8.91,-58.35,6,10,1, 363.398, 6 mid: mol2,
SDF,
SMILES,
flexibase -2.03,-0.51,-25.71,5,10,0, 362.39, 6 mid: mol2,
SDF,
SMILES,
flexibase -2.03,0.02,-48.79,6,10,1, 363.398, 6
Similar to: 4654627, 5762965, 5762966, 5762968, 5762970, ... 18 in total.
|  |
95884457 #60
 
| Sweetlead: SW02595 ref: mol2,
SDF,
SMILES,
flexibase 1.90,10.66,-34.52,1,6,1, 361.462, 3 mid: mol2,
SDF,
SMILES,
flexibase 1.90,9.79,-7.13,0,6,0, 360.454, 3
|  |
95884455 #61
 
| Sweetlead: SW02595 ref: mol2,
SDF,
SMILES,
flexibase 1.90,10.16,-49.32,1,6,1, 361.462, 3 mid: mol2,
SDF,
SMILES,
flexibase 1.90,7.86,-12.02,0,6,0, 360.454, 3
|  |
32220155 #62
 
| Sweetlead: SW02589 ref: mol2,
SDF,
SMILES,
flexibase 1.53,9.35,-19.75,0,9,0, 361.354, 10
|  |
32220156 #63
 
| Sweetlead: SW02589 ref: mol2,
SDF,
SMILES,
flexibase 1.53,9.46,-17.87,0,9,0, 361.354, 10
|  |
32220157 #64
 
| Sweetlead: SW02589 ref: mol2,
SDF,
SMILES,
flexibase 1.53,9.61,-19.26,0,9,0, 361.354, 10
|  |
32220158 #65
 
| Sweetlead: SW02589 ref: mol2,
SDF,
SMILES,
flexibase 1.53,9.57,-19.13,0,9,0, 361.354, 10
|  |
95884449 #66
 
| Sweetlead: SW02578 ref: mol2,
SDF,
SMILES,
flexibase 1.67,7.85,-14.59,1,6,0, 360.406, 3
|  |
95884448 #67
 
| Sweetlead: SW02578 ref: mol2,
SDF,
SMILES,
flexibase 1.67,8.09,-14.23,1,6,0, 360.406, 3
|  |
95884446 #68
 
| Sweetlead: SW02578 ref: mol2,
SDF,
SMILES,
flexibase 1.67,7.63,-12.77,1,6,0, 360.406, 3
|  |
95884444 #69
 
| Sweetlead: SW02578 ref: mol2,
SDF,
SMILES,
flexibase 1.67,7.72,-11.79,1,6,0, 360.406, 3
|  |
95884442 #70
 
| Sweetlead: SW02573 ref: mol2,
SDF,
SMILES,
flexibase -0.26,7.11,-145.34,1,7,-2, 360.362, 2
|  |
95884440 #71
 
| Sweetlead: SW02573 ref: mol2,
SDF,
SMILES,
flexibase -0.26,6.59,-142.97,1,7,-2, 360.362, 2
|  |
95884438 #72
 
| Sweetlead: SW02573 ref: mol2,
SDF,
SMILES,
flexibase -0.26,6.6,-126.97,1,7,-2, 360.362, 2
|  |
53151228 #73
 
| Active BioPharma: 913 American Custom Chemicals Corp.: API0002261 MicroSource Pharmakon: 01505492 MicroSource US Drugs: 01505492 Molport BB: MolPort-003-958-638...48 total
Similar to: 59867993, 59868000, 59868006,
|  |
53147422 #74
 
| eMolecules: 1175580, 672997 Molport: MolPort-001-742-553, MolPort-001-918-389 Aldrich CPR: R751618|ALDRICH American Custom Chemicals Corp.: HBL0000084, API0004044 AnalytiCon Discovery NP (Depleted): NP-010163...61 total
Similar to: 1698429, 3978730, 4015781, 4015782, 4015783, ... 9 in total.
|  |
56870899 #75
 
| Biocyc via PubChem: GEISSOSCHIZINE ChEBI: CHEBI:17037 KEGG via PubChem: C02151 KEGG-C via PubChem: C02151 Sweetlead: SW02482...5 total
ref: mol2,
SDF,
SMILES,
flexibase 3.74,7.95,-9.99,1,5,0, 352.434, 4
Similar to: 16997890, 16997893, 16997895,
|  |
30724353 #76
 
| Biocyc via PubChem: GEISSOSCHIZINE ChEBI: CHEBI:17037 IBM Patent Data: 136117406 KEGG via PubChem: C02151 KEGG-C via PubChem: C02151...6 total
ref: mol2,
SDF,
SMILES,
flexibase 3.74,10.25,-43.88,2,5,1, 353.442, 4 mid: mol2,
SDF,
SMILES,
flexibase 3.74,8.04,-8.35,1,5,0, 352.434, 4
|  |
95884435 #77
 
| Sweetlead: SW02481 ref: mol2,
SDF,
SMILES,
flexibase 1.77,7.46,-49.74,2,5,1, 353.442, 0 hi: mol2,
SDF,
SMILES,
flexibase 1.77,3.92,-7.71,1,5,0, 352.434, 0
|  |
95884434 #78
 
| Sweetlead: SW02481 ref: mol2,
SDF,
SMILES,
flexibase 1.77,7.87,-51.48,2,5,1, 353.442, 0 hi: mol2,
SDF,
SMILES,
flexibase 1.77,5.55,-8.11,1,5,0, 352.434, 0
|  |
95884431 #79
 
| Sweetlead: SW02481 ref: mol2,
SDF,
SMILES,
flexibase 1.77,5.53,-48.35,2,5,1, 353.442, 0 hi: mol2,
SDF,
SMILES,
flexibase 1.77,3.13,-8.08,1,5,0, 352.434, 0
|  |
85994851 #80
 
| eMolecules: 478288 AK Scientific: R534 Aldrich CPR: S364843|ALDRICH Alinda: IVK/8171114 Angene Building Blocks: AGN-PC-0JK779...38 total
|  |
95884429 #81
 
| Sweetlead: SW02471
|  |
95884427 #82
 
| Sweetlead: SW02468 ref: mol2,
SDF,
SMILES,
flexibase -0.46,9.62,-52.14,1,6,1, 352.451, 2
|  |
4081845 #83
 
| eMolecules: 48555992 TCM Database @ Taiwan: tcm03_006014 American Custom Chemicals Corp.: API0009902 IBScreen NP: STOCK1N-53029 Prestwick Chemical: 637...16 total
ref: mol2,
SDF,
SMILES,
flexibase 1.00,5.37,-43.05,3,7,1, 352.407, 1 mid: mol2,
SDF,
SMILES,
flexibase 1.00,1.23,-10.55,2,7,0, 351.399, 1
Similar to: 4964098, 4964101, 4964105, 5037472, 5037473, ... 19 in total.
|  |
95884425 #84
 
| Sweetlead: SW02429 ref: mol2,
SDF,
SMILES,
flexibase 1.55,5.92,-45.25,2,6,1, 348.419, 3 hi: mol2,
SDF,
SMILES,
flexibase 1.55,3.91,-9.42,1,6,0, 347.411, 3
|  |
95884424 #85
 
| Sweetlead: SW02429 ref: mol2,
SDF,
SMILES,
flexibase 1.55,5.3,-43.42,2,6,1, 348.419, 3 hi: mol2,
SDF,
SMILES,
flexibase 1.55,3.72,-8.55,1,6,0, 347.411, 3
|  |
95884422 #86
 
| Sweetlead: SW02429 ref: mol2,
SDF,
SMILES,
flexibase 1.55,6.1,-41.58,2,6,1, 348.419, 3 hi: mol2,
SDF,
SMILES,
flexibase 1.55,3.79,-9.58,1,6,0, 347.411, 3
|  |
95884421 #87
 
| Sweetlead: SW02429 ref: mol2,
SDF,
SMILES,
flexibase 1.55,5.68,-43.05,2,6,1, 348.419, 3 hi: mol2,
SDF,
SMILES,
flexibase 1.55,3.34,-9.67,1,6,0, 347.411, 3
|  |
95884419 #88
 
| Sweetlead: SW02428 ref: mol2,
SDF,
SMILES,
flexibase 1.06,3.97,-12.54,2,6,0, 348.395, 4
|  |
95884418 #89
 
| Sweetlead: SW02428 ref: mol2,
SDF,
SMILES,
flexibase 1.06,3.76,-12.45,2,6,0, 348.395, 4
|  |
95884413 #90
 
| Sweetlead: SW02428 ref: mol2,
SDF,
SMILES,
flexibase 1.06,4.13,-12.01,2,6,0, 348.395, 4
|  |
95884412 #91
 
| Sweetlead: SW02428 ref: mol2,
SDF,
SMILES,
flexibase 1.06,4.22,-11.42,2,6,0, 348.395, 4
|  |
95884411 #92
 
| Sweetlead: SW02400 ref: mol2,
SDF,
SMILES,
flexibase -0.39,3.96,-52.26,2,6,-1, 345.371, 2
|  |
95884410 #93
 
| Sweetlead: SW02400 ref: mol2,
SDF,
SMILES,
flexibase -0.39,3.71,-46.67,2,6,-1, 345.371, 2
|  |
95884409 #94
 
| Sweetlead: SW02400 ref: mol2,
SDF,
SMILES,
flexibase -0.39,4.38,-66.77,2,6,-1, 345.371, 2
|  |
95884408 #95
 
| Sweetlead: SW02396 ref: mol2,
SDF,
SMILES,
flexibase 4.54,11.65,-74.85,3,2,2, 344.587, 1
|  |
95884407 #96
 
| Sweetlead: SW02396 ref: mol2,
SDF,
SMILES,
flexibase 4.54,11.39,-75.65,3,2,2, 344.587, 1
|  |
95884404 #97
 
| Sweetlead: SW02396 ref: mol2,
SDF,
SMILES,
flexibase 4.54,11.38,-74.73,3,2,2, 344.587, 1
|  |
95884402 #98
 
| Sweetlead: SW02396 ref: mol2,
SDF,
SMILES,
flexibase 4.54,11.61,-81.34,3,2,2, 344.587, 1
|  |
33830295 #99
 
| Sweetlead: SW02395 ref: mol2,
SDF,
SMILES,
flexibase 4.54,11.45,-77.94,3,2,2, 344.587, 1
Similar to: 1090509, 3977746, 3977747, 3977748, 3977749, ... 9 in total.
|  |
33830294 #100
 
| Sweetlead: SW02395 ref: mol2,
SDF,
SMILES,
flexibase 4.54,11.68,-78.34,3,2,2, 344.587, 1
Similar to: 1090509, 3977746, 3977747, 3977748, 3977749, ... 9 in total.
|  |
Old detail retrieval took 2 seconds.
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 = 779 ) limit 0,100