ZINC ID	Supplier information; Representations Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB Annotations; Similarity	Structure Click for quick 3D display
166119   #1	ChemMol: 44016727 eMolecules: 2797859 Molport: MolPort-001-734-455 Scientific Exchange Building Blocks: F-370716 Acorn PharmaTech: ACN-000535...44 total ref: mol2, SDF, SMILES, flexibase 0.34,4.01,-7.86,2,4,0, 172.191, 1
166122   #2	Molport: MolPort-002-344-676 Aldrich CPR: CDS016903|ALDRICH American Custom Chemicals Corp.: CHM0085438 Key Organics Building Blocks: 10B-112 KeyOrganics: 10B-112...15 total ref: mol2, SDF, SMILES, flexibase 1.54,5.5,-8.17,0,2,0, 178.26, 2
3883114   #3	Molport: MolPort-002-344-677 Key Organics Building Blocks: 10E-058 KeyOrganics: 10E-058 Matrix Scientific: 042513 Molport BB: MolPort-002-344-677...12 total ref: mol2, SDF, SMILES, flexibase 0.51,6.55,-9.75,0,5,0, 183.211, 4 Similar to: 3956703, 2577298,
2569385   #4	ChemMol: 44030439 eMolecules: 2798545 Molport: MolPort-000-876-326 AK Scientific: W8591 AKOS: AKOS000167569...36 total ref: mol2, SDF, SMILES, flexibase -0.75,4.31,-15.38,0,4,0, 108.104, 1
166131   #5	Molport: MolPort-002-344-678 Key Organics Building Blocks: 10E-924 KeyOrganics: 10E-924 Matrix Scientific: 042520 Mcule: MCULE-1235060127...14 total ref: mol2, SDF, SMILES, flexibase 2.40,-4.52,-10.09,4,5,0, 268.32, 2 Similar to: 3883118,
3883118   #6	Molport: MolPort-002-344-678 Key Organics Building Blocks: 10E-924 KeyOrganics: 10E-924 Matrix Scientific: 042520 Mcule: MCULE-1235060127...14 total ref: mol2, SDF, SMILES, flexibase 2.40,-4.52,-10.11,4,5,0, 268.32, 2 Similar to: 166131,
20218497   #7	AK Scientific: 8267AD AKOS: AKOS005069176 Apollo Scientific: PC8474 Chembo Pharma: KB-84115, KB-112168 Fluorochem: 010091...28 total ref: mol2, SDF, SMILES, flexibase 2.64,6.04,-4.74,1,4,0, 282.649, 6
1389371   #8	Apollo Scientific: PC6319 Chembo Pharma: KB-124158, KB-197257 Enamine Building Blocks: EN300-129052 Fluorochem: 010035 Indofine: 26-2913...28 total ref: mol2, SDF, SMILES, flexibase 1.59,0.83,-6.38,1,3,0, 214.574, 2 Similar to: 34548245, 34975496, 44249569,
2561392   #9	Molport: MolPort-001-778-348 Apollo Scientific: PC9461 Indofine: 26-4243 Key Organics Building Blocks: 10F-356S KeyOrganics: 10F-356S...19 total ref: mol2, SDF, SMILES, flexibase 3.99,5.98,-7.67,0,4,0, 338.207, 5 Similar to: 34850328, 34850356, 34850652, 44201337, ... 4 in total.
166135   #10	Molport: MolPort-001-776-415 Apollo Scientific: PC6325 Indofine: 26-2919 Key Organics Building Blocks: 10F-366S KeyOrganics: 10F-366S...19 total ref: mol2, SDF, SMILES, flexibase 3.77,3.65,-7.8,0,4,0, 304.655, 4 Similar to: 34850328, 44201338,
3883124   #11	Aldrich CPR: CDS015338|ALDRICH Apexmol Building Blocks: AM90372 Ark Pharm Building Blocks: AK122170 Chembo Pharma: KB-10757 Combi-Blocks: SS-5987...36 total ref: mol2, SDF, SMILES, flexibase 1.93,3.07,-3.83,2,2,0, 157.6, 2
6219700   #12	eMolecules: 14854824 Molport: MolPort-002-815-111 Apollo Scientific: PC8435 Indofine: 26-2220 Key Organics Building Blocks: 10G-003...21 total ref: mol2, SDF, SMILES, flexibase 2.42,5.58,-11.99,3,5,0, 295.677, 3
20218522   #13	Molport: MolPort-002-344-679 AK Scientific: 2779AA Anward: ANW-55868 Ark Pharm Building Blocks: AK-55781 BePharm Building Blocks: B63106...23 total ref: mol2, SDF, SMILES, flexibase 0.93,3.29,-5.89,0,3,0, 163.224, 2 Similar to: 3883125, 3883126,
20218521   #14	Molport: MolPort-002-344-679 AK Scientific: 2779AA Anward: ANW-55868 Ark Pharm Building Blocks: AK-55781 BePharm Building Blocks: B63106...22 total ref: mol2, SDF, SMILES, flexibase 0.93,3.58,-5.78,0,3,0, 163.224, 2 Similar to: 3883125, 3883126,
3883131   #15	ChemMol: 97603459, 44020677 Molport: MolPort-002-344-680 ACT Chemical BB: ACT05108 AK Scientific: X8967, 4466AA AKOS: AKOS005069185...42 total ref: mol2, SDF, SMILES, flexibase 2.90,6.02,-10.75,1,5,0, 319.382, 6 Similar to: 3883132, 6594987, 6594989, 6595056, 6595057, ... 28 in total.
3883132   #16	ChemMol: 97603458, 44020676 Molport: MolPort-002-344-680 AK Scientific: 4466AA AKOS: AKOS005069185, AKOS015898738 American Custom Chemicals Corp.: CCH0001452...37 total ref: mol2, SDF, SMILES, flexibase 2.90,6,-13.65,1,5,0, 319.382, 6 Similar to: 6594987, 6594989, 6595056, 6595057, 6604511, ... 26 in total.
3883135   #17	Molport: MolPort-002-344-682 Scientific Exchange (make on demand): M-049991 AK Scientific: 4616AE AKOS: AKOS005069186 Key Organics Building Blocks: 10G-329S...20 total ref: mol2, SDF, SMILES, flexibase 2.96,-2.05,-9.88,1,5,0, 299.392, 7 Similar to: 6145257, 6145259, 6145297, 6145298, 7246357, ... 9 in total.
166155   #18	Molport: MolPort-002-344-682 Scientific Exchange (make on demand): M-049991 AK Scientific: 4616AE AKOS: AKOS005069186 Key Organics Building Blocks: 10G-329S...20 total ref: mol2, SDF, SMILES, flexibase 2.96,-2.11,-12.94,1,5,0, 299.392, 7 Similar to: 3883135, 6145257, 6145259, 6145297, 6145298, ... 9 in total.
20218531   #19	Molport: MolPort-001-775-519 AK Scientific: 8397AD Apollo Scientific: PC4950 Key Organics Building Blocks: 10G-922 KeyOrganics: 10G-922...21 total ref: mol2, SDF, SMILES, flexibase 0.07,1.57,-8.61,4,7,0, 337.689, 5 Similar to: 3883198,
20218530   #20	Molport: MolPort-001-775-519 AK Scientific: 8397AD Apollo Scientific: PC4950 Key Organics Building Blocks: 10G-922 KeyOrganics: 10G-922...21 total ref: mol2, SDF, SMILES, flexibase 0.07,1.58,-8.88,4,7,0, 337.689, 5 Similar to: 3883198,
20218536   #21	Molport: MolPort-001-778-322 Apollo Scientific: PC9394 Chembo Pharma: KB-202991 Indofine: 26-4143 Key Organics Building Blocks: 10G-935...24 total ref: mol2, SDF, SMILES, flexibase 3.22,7.94,-7.76,0,4,0, 343.132, 4 Similar to: 3883202, 3883204,
20218537   #22	Molport: MolPort-001-778-322 Apollo Scientific: PC9394 Chembo Pharma: KB-202991 Indofine: 26-4143 Key Organics Building Blocks: 10G-935...24 total ref: mol2, SDF, SMILES, flexibase 3.22,8.2,-6.64,0,4,0, 343.132, 4 Similar to: 3883202, 3883204,
20218534   #23	Molport: MolPort-001-778-322 Apollo Scientific: PC9394 Chembo Pharma: KB-202991 Indofine: 26-4143 Key Organics Building Blocks: 10G-935...24 total ref: mol2, SDF, SMILES, flexibase 3.22,7.93,-8.23,0,4,0, 343.132, 4 Similar to: 3883202, 3883204,
20218535   #24	Molport: MolPort-001-778-322 Apollo Scientific: PC9394 Chembo Pharma: KB-202991 Indofine: 26-4143 Key Organics Building Blocks: 10G-935...24 total ref: mol2, SDF, SMILES, flexibase 3.22,7.94,-7.8,0,4,0, 343.132, 4 Similar to: 3883202, 3883204,
166256   #25	AK Scientific: 5450AA AKOS: AKOS000345085 Anward: ANW-55845 Apollo Scientific: PC9319 Ark Pharm Building Blocks: AK-56177...31 total ref: mol2, SDF, SMILES, flexibase 2.50,6.97,-10.87,0,3,0, 231.226, 3 Similar to: 38476726, 44198702,
166258   #26	AK Scientific: 3521AD AKOS: AKOS000345531 Aldrich CPR: KOB0035|ALDRICH Chembo Pharma: KB-189485 Key Organics Building Blocks: 10H-020...20 total ref: mol2, SDF, SMILES, flexibase 2.33,6.91,-11.88,0,3,0, 213.236, 3 Similar to: 34322287, 34623851, 38458984, 39258972, 39386308, ... 5 in total.
2389980   #27	Acros Organics: 39103 AK Scientific: 1560AF Anward: ANW-55006 BePharm Building Blocks: B4573 Bosche Scientific: D8856...24 total ref: mol2, SDF, SMILES, flexibase 3.41,0.24,-6.67,0,1,0, 196.249, 2 Similar to: 6092783, 34567698, 39269320,
166269   #28	ChemMol: 30110448, 44011236 eMolecules: 4850348 Molport: MolPort-001-756-758 ACT Chemical BB: ACT08122 AK Scientific: V0652...61 total ref: mol2, SDF, SMILES, flexibase 3.31,1.96,-8.49,0,2,0, 214.655, 1 Similar to: 43401820, 43401832, 43401834, 43401836, 43401838, ... 23 in total.
3883213   #29	ChemMol: 44019170 Molport: MolPort-002-344-706 AK Scientific: 0488AF AKOS: AKOS000345204 Aldrich CPR: JRD0429|ALDRICH...24 total ref: mol2, SDF, SMILES, flexibase 3.99,1.81,-8.75,0,2,0, 249.1, 1 Similar to: 43401832, 43401834, 43401836, 43401844, 43401850, ... 18 in total.
166271   #30	A&J Pharmtech: AJ-02519 AK Scientific: Y6174 AKOS: AKOS000345205 Alfa-Aesar: H50519 Anward: ANW-74635...40 total ref: mol2, SDF, SMILES, flexibase 3.48,2.7,-9.29,0,2,0, 232.645, 1 Similar to: 43401828, 43401836, 43401848, 43401850, 43401860, ... 12 in total.
142643   #31	eMolecules: 4850360 Molport: MolPort-002-344-709 Key Organics Building Blocks: 10J-036 KeyOrganics: 10J-036 Matrix Scientific: 042606...16 total ref: mol2, SDF, SMILES, flexibase 3.93,3.52,-11.81,0,3,0, 271.703, 3
3883214   #32	Key Organics Building Blocks: 10J-333S KeyOrganics: 10J-333S Matrix Scientific: 042607 Mcule: MCULE-2161585845 Molport BB: MolPort-003-355-196...12 total ref: mol2, SDF, SMILES, flexibase 1.88,3.64,-4.62,0,4,0, 186.236, 3 Similar to: 2388278,
159323   #33	ChemMol: 44030782 AK Scientific: W3951 Alfa-Aesar: A13399 Alinda Building Blocks: ALBB-009847 Anward: ANW-47603...38 total ref: mol2, SDF, SMILES, flexibase 1.20,3.26,-4.55,0,4,0, 172.209, 3
166278   #34	eMolecules: 4850366 Molport: MolPort-002-344-712 AK Scientific: 7864AE AKOS: AKOS000165117 Chembo Pharma: KB-256757...24 total ref: mol2, SDF, SMILES, flexibase 1.10,6.13,-19.03,1,5,0, 235.239, 5
166282   #35	ChemMol: 44015810 Molport: MolPort-001-775-484 AK Scientific: 3797AE AKOS: AKOS005069212 Apollo Scientific: PC4633...29 total ref: mol2, SDF, SMILES, flexibase 4.91,12.12,-16.08,0,2,0, 315.347, 4
166283   #36	ChemMol: 44015810 Molport: MolPort-001-775-484 AK Scientific: 3797AE AKOS: AKOS005069212 Apollo Scientific: PC4633...29 total ref: mol2, SDF, SMILES, flexibase 4.91,12.13,-13.1,0,2,0, 315.347, 4
166285   #37	Aldrich CPR: CDS016423|ALDRICH Apollo Scientific: PC9388 Chembo Pharma: KB-99189 Indofine: 26-4119 Key Organics Building Blocks: 10K-400S...20 total ref: mol2, SDF, SMILES, flexibase 1.38,2.5,-7.59,0,4,0, 205.139, 2 Similar to: 34632758,
166289   #38	AK Scientific: 0650AE Chembo Pharma: KB-105829 Key Organics Building Blocks: 10K-591S KeyOrganics: 10K-591S Matrix Scientific: 042683...18 total ref: mol2, SDF, SMILES, flexibase 3.07,0.51,-5.21,2,2,0, 226.304, 2 Similar to: 34523225,
166291   #39	eMolecules: 4850380 Molport: MolPort-002-344-714 AK Scientific: 0651AE AKOS: AKOS005069226 Chembo Pharma: KB-255096...23 total ref: mol2, SDF, SMILES, flexibase 3.76,0.81,-5.71,0,3,0, 267.737, 3
3883219   #40	eMolecules: 2722915 Molport: MolPort-002-344-715 AK Scientific: 5615AE Aldrich CPR: CDS016411|ALDRICH BioBlocks: A4194/0178607...28 total ref: mol2, SDF, SMILES, flexibase 2.40,2.11,-9.51,2,3,0, 225.295, 2 Similar to: 34976235,
128602   #41	ChemMol: 42301759, 83602822 eMolecules: 723143 Acros Organics: SS00047 AK Scientific: 9487AA AKOS: AKOS005069228...33 total ref: mol2, SDF, SMILES, flexibase 3.21,7.58,-7.7,2,4,0, 274.755, 2 Similar to: 31885323, 31886269, 31886272, 32106060, 34531114, ... 10 in total.
3883220   #42	Molport: MolPort-002-344-716 AK Scientific: 0563AB Aldrich CPR: CDS008755|ALDRICH, JRD0119|ALDRICH Anward: ANW-55008 Ark Pharm Building Blocks: AK-78678...32 total ref: mol2, SDF, SMILES, flexibase 2.35,-0.57,-8.51,1,3,0, 209.632, 2 Similar to: 34607264, 44711400,
3883221   #43	Molport: MolPort-002-344-718 Key Organics Building Blocks: 10L-555S KeyOrganics: 10L-555S Matrix Scientific: 042693 Mcule: MCULE-2086553036...12 total ref: mol2, SDF, SMILES, flexibase 4.09,1.52,-9.28,0,4,0, 324.405, 5
2569400   #44	Molport: MolPort-002-344-719 Key Organics Building Blocks: 10L-759 KeyOrganics: 10L-759 Matrix Scientific: 042694 Mcule: MCULE-9059926121...14 total ref: mol2, SDF, SMILES, flexibase 2.98,0.79,-7.38,1,3,0, 254.761, 4 Similar to: 5393325,
20218582   #45	Molport: MolPort-001-775-499 Apollo Scientific: PC8134, PC4936 Chembo Pharma: KB-226953, KB-212743 Key Organics Building Blocks: 10L-967 KeyOrganics: 10L-966...29 total ref: mol2, SDF, SMILES, flexibase 3.97,5.66,-7.44,4,4,0, 365.186, 6 Similar to: 2388214,
166298   #46	ChemMol: 44024852 Molport: MolPort-002-344-724 AK Scientific: 1907AB AKOS: AKOS005069239 Aldrich CPR: CDS016408|ALDRICH...31 total ref: mol2, SDF, SMILES, flexibase 3.12,1.17,-6.56,0,4,0, 262.696, 4 Similar to: 191863,
166387   #47	ChemMol: 44021268 eMolecules: 725609 Acros Organics: CC32716 AK Scientific: Y8451 Aldrich CPR: CDS017138|ALDRICH...39 total ref: mol2, SDF, SMILES, flexibase 1.19,7.11,-11.23,0,3,0, 169.187, 1 Similar to: 34428775,
166389   #48	ChemMol: 96700678 Molport: MolPort-002-344-729 AK Scientific: Z3803 Angene Building Blocks: AGN-PC-0KKRF1 Ark Pharm Building Blocks: AK136125...30 total ref: mol2, SDF, SMILES, flexibase 1.44,7.53,-9.31,0,4,0, 202.213, 3 mid: mol2, SDF, SMILES, flexibase 1.44,8.04,-39.27,1,4,1, 203.221, 3
137798   #49	eMolecules: 630778 Molport: MolPort-001-619-353 AK Scientific: 6993AD AKOS: AKOS000544608 Alinda: IVK/9076859...36 total ref: mol2, SDF, SMILES, flexibase 2.08,6.61,-9.47,0,4,0, 217.224, 3 Similar to: 4444824, 25401556, 25404998, 34436879, 36469163, ... 19 in total.
166391   #50	Molport: MolPort-002-344-730 Chembo Pharma: KB-255093 Key Organics Building Blocks: 11B-030 KeyOrganics: 11B-030 Matrix Scientific: 042903...16 total ref: mol2, SDF, SMILES, flexibase 2.51,10.11,-8.63,0,4,0, 313.74, 3 Similar to: 4118067, 35527677,
166393   #51	Molport: MolPort-002-344-731 Chembo Pharma: KB-254917 Key Organics Building Blocks: 11B-128 KeyOrganics: 11B-128 Matrix Scientific: 042906...16 total ref: mol2, SDF, SMILES, flexibase 1.90,8.38,-12.53,0,5,0, 294.31, 4 lo: mol2, SDF, SMILES, flexibase 1.90,8.84,-37.93,1,5,1, 295.318, 4
3883332   #52	Molport: MolPort-002-344-732 Acorn PharmaTech: ACN-P000701 AKOS: AKOS005069390 Anward: ANW-55823 Ark Pharm Building Blocks: AK-56647...21 total ref: mol2, SDF, SMILES, flexibase 0.34,4.52,-12.82,0,5,0, 183.163, 3
2555679   #53	Molport: MolPort-002-344-733 AK Scientific: 5283AA AKOS: AKOS005069391 Anward: ANW-55860 Ark Pharm Building Blocks: AK-55888...20 total ref: mol2, SDF, SMILES, flexibase -1.29,-5.3,-32.65,4,7,0, 196.166, 3
1689745   #54	eMolecules: 536565 Molport: MolPort-002-344-734 AK Scientific: X5350 AKOS: AKOS005069392 Anward: ANW-54978...36 total ref: mol2, SDF, SMILES, flexibase -0.67,1.56,-23.49,1,5,0, 156.141, 3 Similar to: 39125844, 39269456, 39269457,
3883333   #55	eMolecules: 2872534 Molport: MolPort-002-344-735 AK Scientific: 9115AE AKOS: AKOS001298007 Chembo Pharma: KB-12814...27 total ref: mol2, SDF, SMILES, flexibase -0.93,1,-16.31,1,5,0, 151.125, 0
166407   #56	eMolecules: 4850640 Molport: MolPort-002-344-737 AK Scientific: 1778AC Anward: ANW-54931 Ark Pharm Building Blocks: AK-83506...20 total ref: mol2, SDF, SMILES, flexibase 0.04,4.88,-13.24,1,5,0, 247.641, 1
166408   #57	eMolecules: 4850642 Molport: MolPort-002-344-738 Aldrich CPR: PH002405|ALDRICH Anward: ANW-54932 Ark Pharm Building Blocks: AK-83505...23 total ref: mol2, SDF, SMILES, flexibase -0.64,4.36,-12.83,1,5,0, 213.196, 1 Similar to: 38276772,
3883340   #58	eMolecules: 4850652 Molport: MolPort-002-344-743 Chembo Pharma: KB-256192 Key Organics Building Blocks: 11E-961 KeyOrganics: 11E-961...17 total ref: mol2, SDF, SMILES, flexibase -0.56,1.78,-17,1,7,0, 277.261, 3
2555681   #59	Molport: MolPort-002-344-744 AK Scientific: 3803AE Chembo Pharma: KB-253582 Key Organics Building Blocks: 11E-962 KeyOrganics: 11E-962...18 total ref: mol2, SDF, SMILES, flexibase -0.29,-4.01,-11.81,3,7,0, 216.193, 6
20218707   #60	ChemMol: 42307075 AK Scientific: 3804AE Apollo Scientific: PC4912 Chembo Pharma: KB-93255 Combi-Blocks: SS-6995...22 total ref: mol2, SDF, SMILES, flexibase 0.06,1.33,-10.05,4,5,0, 268.626, 4
166426   #61	AK Scientific: 8660AC Key Organics Building Blocks: 11F-431S KeyOrganics: 11F-431S Matrix Scientific: 042927 Molport BB: MolPort-001-795-065...16 total ref: mol2, SDF, SMILES, flexibase 2.88,5.42,-6.64,0,4,0, 250.685, 3 Similar to: 34664513, 34850648, 34957060, 34957067, 34957069, ... 14 in total.
3883344   #62	Aldrich CPR: KOB0103|ALDRICH Key Organics Building Blocks: 11F-443S KeyOrganics: 11F-443S Matrix Scientific: 042930 Molport BB: MolPort-001-792-635...16 total ref: mol2, SDF, SMILES, flexibase 2.86,5.42,-6.26,0,4,0, 250.685, 3 Similar to: 34664670, 34664672, 34664673, 34850321, 34850322, ... 12 in total.
166430   #63	ChemMol: 83600578 eMolecules: 835966 Scientific Exchange (make on demand): F-108568 AK Scientific: 9571AD AKOS: AKOS000271236...38 total ref: mol2, SDF, SMILES, flexibase 1.16,1.04,-13.89,2,5,0, 240.694, 2
2559822   #64	eMolecules: 1607343 Molport: MolPort-002-041-066 Scientific Exchange (make on demand): H-035356 AK Scientific: 6582AD AKOS: AKOS000295641...29 total ref: mol2, SDF, SMILES, flexibase 3.54,2.92,-9.99,0,2,0, 212.248, 4 Similar to: 33791009, 34450208, 38273582,
20218724   #65	Apollo Scientific: PC4620 Indofine: 26-2283 Key Organics Building Blocks: 11F-925 KeyOrganics: 11F-925 Matrix Scientific: 042935...22 total ref: mol2, SDF, SMILES, flexibase 1.23,4.25,-12.27,2,6,0, 338.717, 4 Similar to: 46866972,
20218736   #66	Molport: MolPort-001-776-411 AK Scientific: 9574AD Apollo Scientific: PC6316 Chembo Pharma: KB-90421 Combi-Blocks: SS-7126...20 total ref: mol2, SDF, SMILES, flexibase 4.10,7.12,-6.31,0,4,0, 397.253, 4 lo: mol2, SDF, SMILES, flexibase 4.10,7.55,-32.03,1,4,1, 398.261, 4
20218737   #67	Molport: MolPort-001-775-526 Apollo Scientific: PC4934 Chembo Pharma: KB-287420 Key Organics Building Blocks: 11F-955 KeyOrganics: 11F-955...17 total ref: mol2, SDF, SMILES, flexibase 1.89,2.47,-12.26,2,5,0, 351.756, 5 Similar to: 26328031,
20218738   #68	Molport: MolPort-001-775-525 AK Scientific: 9576AD Apollo Scientific: PC4933 Chembo Pharma: KB-287421 Key Organics Building Blocks: 11F-957...23 total ref: mol2, SDF, SMILES, flexibase 2.14,6.19,-13.38,1,5,0, 365.783, 5 Similar to: 26328031,
402553   #69	eMolecules: 3962746, 5796258, 2854049 Molport: MolPort-002-923-642 AKOS: AKOS000122116, AKOS002681505 Aldrich CPR: CDS018085|ALDRICH Alinda Building Blocks: ALBB-015322...65 total ref: mol2, SDF, SMILES, flexibase 1.71,6.18,-8.72,3,4,0, 206.274, 3 Similar to: 5910221, 6605937, 6605942, 34592516, 34592517, ... 6 in total.
18177992   #70	eMolecules: 2023209 Molport: MolPort-005-972-439, MolPort-001-942-569 AKOS: AKOS000636987, AKOS002285370 Alinda: IBS-0020584 Asinex: BAS00671148...39 total ref: mol2, SDF, SMILES, flexibase 2.99,7.12,-8.7,3,4,0, 275.164, 3
166447   #71	AKOS: AKOS005069491 Apollo Scientific: PC8442 Chembo Pharma: KB-91466 Indofine: 26-3066 Key Organics Building Blocks: 11G-017...21 total ref: mol2, SDF, SMILES, flexibase 3.27,5.91,-9.37,0,2,0, 254.239, 2 Similar to: 34524003,
167314   #72	AKOS: AKOS005069491 Apollo Scientific: PC8442 Chembo Pharma: KB-91466 Indofine: 26-3066 Key Organics Building Blocks: 11G-017...21 total ref: mol2, SDF, SMILES, flexibase 3.27,5.91,-9.35,0,2,0, 254.239, 2 Similar to: 34524003,
167323   #73	eMolecules: 36727088, 911274 Molport: MolPort-019-877-636, MolPort-001-778-394 Apollo Scientific: PC9492 Key Organics Building Blocks: 11G-047 KeyOrganics: 11G-047...23 total ref: mol2, SDF, SMILES, flexibase 2.58,-1.35,-9.6,3,4,0, 274.271, 4
17045223   #74	eMolecules: 1835078 Scientific Exchange (make on demand): M-755604 AKOS: AKOS002261737 Aldrich CPR: CDS015074|ALDRICH IBScreen: STOCK5S-56396...38 total ref: mol2, SDF, SMILES, flexibase 0.27,3.63,-13.02,3,4,0, 154.198, 2
35783   #75	ChemMol: 83600757, 30101744 eMolecules: 507716 Scientific Exchange (make on demand): POD_15/0497 AK Scientific: 6280AC AKOS: AKOS000265664...65 total ref: mol2, SDF, SMILES, flexibase 2.40,2.13,-9.98,0,3,0, 220.659, 2 Similar to: 6417762, 12958565, 34963140,
167327   #76	Molport: MolPort-002-344-752 Key Organics Building Blocks: 11H-030 KeyOrganics: 11H-030 Matrix Scientific: 042952 Mcule: MCULE-8737833755...13 total ref: mol2, SDF, SMILES, flexibase 4.54,1.52,-5.93,0,4,0, 321.767, 3 Similar to: 36755601,
12341198   #77	Molport: MolPort-002-344-754 American Custom Chemicals Corp.: CHM0020643 Angene Building Blocks: AGN-PC-0KKS05 Chembo Pharma: KB-23343 Fluorochem: 386954...18 total ref: mol2, SDF, SMILES, flexibase -0.20,0.75,-5.73,2,4,0, 153.185, 2
167340   #78	Molport: MolPort-001-775-531 AK Scientific: 9582AD Apollo Scientific: PC4943 Chembo Pharma: KB-90369 Indofine: 26-2996...21 total ref: mol2, SDF, SMILES, flexibase 4.42,4.97,-10.87,0,3,0, 335.716, 3 Similar to: 44249862, 44249864,
167345   #79	ChemMol: 96708034 Molport: MolPort-001-494-586 Scientific Exchange (make on demand): R-080805 AK Scientific: 0326AF AKOS: AKOS000601127...25 total ref: mol2, SDF, SMILES, flexibase 0.36,4.89,-11.6,0,5,0, 200.201, 1
167346   #80	AK Scientific: 9563AD Apollo Scientific: PC9330 Bosche Scientific: F10856 Chembo Pharma: KB-92410, KB-227101 Combi-Blocks: QA-8718...28 total ref: mol2, SDF, SMILES, flexibase 3.61,8.07,-17.05,0,2,0, 245.278, 3 Similar to: 34541648, 34976782, 34976823, 34976833, 34976845, ... 5 in total.
167348   #81	Aldrich CPR: CDS017171|ALDRICH Key Organics Building Blocks: 11J-014 KeyOrganics: 11J-014 Matrix Scientific: 042966 Mcule: MCULE-7043973661...16 total ref: mol2, SDF, SMILES, flexibase 3.50,7.98,-12.88,0,2,0, 227.288, 3 Similar to: 34976778, 34976792, 34976794, 34976831, 34976847, ... 6 in total.
167350   #82	Molport: MolPort-002-344-756 AK Scientific: 9564AD AKOS: AKOS005069446 Aldrich CPR: CDS016389|ALDRICH Key Organics Building Blocks: 11K-017...21 total ref: mol2, SDF, SMILES, flexibase 1.38,8.07,-16.16,2,6,0, 241.254, 2 Similar to: 34429621, 34456520, 34563537, 36375187, 36377058, ... 5 in total.
167352   #83	Molport: MolPort-002-344-757 Aldrich CPR: CDS019016|ALDRICH Key Organics Building Blocks: 11K-024 KeyOrganics: 11K-024 Matrix Scientific: 042971...18 total ref: mol2, SDF, SMILES, flexibase 0.17,7.07,-21.09,2,6,0, 212.216, 1 lo: mol2, SDF, SMILES, flexibase 0.17,7.22,-45.78,3,6,1, 213.224, 1
3883362   #84	Molport: MolPort-002-344-758 AK Scientific: 9565AD Key Organics Building Blocks: 11K-030 KeyOrganics: 11K-030 Matrix Scientific: 042972...15 total ref: mol2, SDF, SMILES, flexibase 2.32,-0.32,-16.78,2,6,0, 267.292, 3 Similar to: 12951805,
2522801   #85	Molport: MolPort-001-781-848 Anward: ANW-15981 Key Organics Building Blocks: 11K-351S KeyOrganics: 11K-351S Matrix Scientific: 042973...20 total ref: mol2, SDF, SMILES, flexibase 2.31,4.27,-12.69,0,5,0, 264.277, 8 Similar to: 34547774, 34547776, 36456952, 36456953, ... 4 in total.
167354   #86	Molport: MolPort-002-344-759 AK Scientific: 9566AD Chembo Pharma: KB-180608 Key Organics Building Blocks: 11K-534S KeyOrganics: 11K-534S...17 total ref: mol2, SDF, SMILES, flexibase 3.75,0.37,-5.2,2,2,0, 260.749, 2
167359   #87	Molport: MolPort-002-344-760 Chembo Pharma: KB-180607 Key Organics Building Blocks: 11K-550S KeyOrganics: 11K-550S Matrix Scientific: 042976...14 total ref: mol2, SDF, SMILES, flexibase 4.33,0.38,-6.7,2,2,0, 295.194, 2 Similar to: 39022401,
167361   #88	Molport: MolPort-002-344-761 AK Scientific: 9569AD AKOS: AKOS005069463 Key Organics Building Blocks: 11K-646S KeyOrganics: 11K-646S...22 total ref: mol2, SDF, SMILES, flexibase 3.11,0.61,-8.46,2,2,0, 240.331, 2
2561408   #89	Molport: MolPort-001-683-980 Key Organics Building Blocks: 11K-925 KeyOrganics: 11K-925 Matrix Scientific: 042981 Mcule: MCULE-4537759453...11 total ref: mol2, SDF, SMILES, flexibase 1.77,-2.48,-11.77,2,7,0, 368.455, 9
3134538   #90	Molport: MolPort-001-683-980 Key Organics Building Blocks: 11K-925 KeyOrganics: 11K-925 Matrix Scientific: 042981 Mcule: MCULE-4537759453...11 total ref: mol2, SDF, SMILES, flexibase 1.77,-2.22,-11.69,2,7,0, 368.455, 9
3134537   #91	Molport: MolPort-001-683-980 Key Organics Building Blocks: 11K-925 KeyOrganics: 11K-925 Matrix Scientific: 042981 Mcule: MCULE-4537759453...11 total ref: mol2, SDF, SMILES, flexibase 1.77,-2.27,-11.7,2,7,0, 368.455, 9
3134536   #92	Molport: MolPort-001-683-980 Key Organics Building Blocks: 11K-925 KeyOrganics: 11K-925 Matrix Scientific: 042981 Mcule: MCULE-4537759453...11 total ref: mol2, SDF, SMILES, flexibase 1.77,-2.48,-11.78,2,7,0, 368.455, 9
2508540   #93	Molport: MolPort-001-772-418 Apollo Scientific: PC10134 Chembo Pharma: KB-197248 Key Organics Building Blocks: 11L-353S KeyOrganics: 11L-353S...18 total ref: mol2, SDF, SMILES, flexibase 4.02,3.41,-15.12,0,3,0, 339.7, 3
1777748   #94	eMolecules: 2150617 AK Scientific: 9816AE, HTS028123 AKOS: AKOS000245313 Alinda Building Blocks: ALBB-020410 Ark Pharm Building Blocks: AK123618...34 total ref: mol2, SDF, SMILES, flexibase 2.94,1.7,-12.18,0,3,0, 251.285, 2 Similar to: 42076461, 42077270, 42101101, 42101255, 42101269, ... 6 in total.
124344   #95	eMolecules: 2796447 Molport: MolPort-002-344-763 AK Scientific: 1816AE Ark Pharm Building Blocks: AK123619 Chembo Pharma: KB-196548...23 total ref: mol2, SDF, SMILES, flexibase 2.91,2.36,-5.66,0,3,0, 221.643, 2
2026703   #96	ChemMol: 1036516 eMolecules: 858403 Scientific Exchange (make on demand): POD_03/0468 AK Scientific: 2830AC AKOS: AKOS000245101...55 total ref: mol2, SDF, SMILES, flexibase 1.54,5.48,-10.19,0,3,0, 187.198, 2 Similar to: 42074773, 42076588, 42076798, 42076856, 42076963, ... 15 in total.
158893   #97	ChemMol: 96700679 eMolecules: 719064 Molport: MolPort-001-762-746 Scientific Exchange Building Blocks: F-332571 AK Scientific: V0938...48 total ref: mol2, SDF, SMILES, flexibase 1.02,7.26,-9.5,0,3,0, 169.187, 1 Similar to: 37035659,
167551   #98	eMolecules: 4850867 Molport: MolPort-002-344-772 AK Scientific: 2388AA AKOS: AKOS005069550 Anward: ANW-55810...23 total ref: mol2, SDF, SMILES, flexibase 2.16,3.64,-10.34,0,7,0, 309.709, 6
167556   #99	eMolecules: 2605324 Molport: MolPort-002-344-775 AKOS: AKOS001786692 Key Organics Building Blocks: 12C-073 KeyOrganics: 12C-073...17 total ref: mol2, SDF, SMILES, flexibase 1.54,5.11,-11.64,0,8,0, 305.29, 7
167559   #100	Molport: MolPort-001-778-337 Apollo Scientific: PC9417 Chembo Pharma: KB-203047 Indofine: 26-4168 Key Organics Building Blocks: 12C-075...21 total ref: mol2, SDF, SMILES, flexibase 2.56,6.82,-12.48,0,7,0, 343.261, 7

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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 = 563 ) limit 0,100

Smiles were