Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM
| Name (Code) | Description | Organism Class | Size | Browse | Download (Annotations) |
|---|---|---|---|---|---|
| 5HT6R-2-E | Serotonin 6 (5-HT6) receptor (cluster #2 of 2) | Eukaryotes | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CNR1-1-E | Cannabinoid CB1 receptor (cluster #1 of 5) | Eukaryotes | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AA1R-2-E | Adenosine A1 receptor (cluster #2 of 4) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AA2AR-1-E | Adenosine A2a receptor (cluster #1 of 4) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACM4-1-E | Muscarinic acetylcholine receptor M4 (cluster #1 of 6) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CNR2-1-E | Cannabinoid CB2 receptor (cluster #1 of 3) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| LEF-1-B | Anthrax lethal factor (cluster #1 of 2) | Bacteria | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 of 2) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Q72874-1-V | Human immunodeficiency virus type 1 protease (cluster #1 of 3) | Viruses | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN2A-1-E | Sodium channel protein type II alpha subunit (cluster #1 of 2) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) receptor (cluster #1 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACM1-3-E | Muscarinic acetylcholine receptor M1 (cluster #3 of 5) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACM2-3-E | Muscarinic acetylcholine receptor M2 (cluster #3 of 6) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACM3-1-E | Muscarinic acetylcholine receptor M3 (cluster #1 of 5) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACM5-2-E | Muscarinic acetylcholine receptor M5 (cluster #2 of 4) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADA1A-1-E | Alpha-1a adrenergic receptor (cluster #1 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADA1B-1-E | Alpha-1b adrenergic receptor (cluster #1 of 4) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADA1D-1-E | Alpha-1d adrenergic receptor (cluster #1 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADA2A-1-E | Alpha-2a adrenergic receptor (cluster #1 of 4) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADA2C-1-E | Alpha-2c adrenergic receptor (cluster #1 of 4) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADRB1-2-E | Beta-1 adrenergic receptor (cluster #2 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADRB2-1-E | Beta-2 adrenergic receptor (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADRB3-2-E | Beta-3 adrenergic receptor (cluster #2 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ALDH2-1-E | Aldehyde dehydrogenase (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AOFA-1-E | Monoamine oxidase A (cluster #1 of 8) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AOFB-1-E | Monoamine oxidase B (cluster #1 of 8) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH1-12-E | Carbonic anhydrase I (cluster #12 of 12) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH12-2-E | Carbonic anhydrase XII (cluster #2 of 9) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH13-1-E | Carbonic anhydrase XIII (cluster #1 of 7) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH14-4-E | Carbonic anhydrase XIV (cluster #4 of 8) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH15-4-E | Carbonic anhydrase 15 (cluster #4 of 6) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH5A-6-E | Carbonic anhydrase VA (cluster #6 of 10) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH5B-4-E | Carbonic anhydrase VB (cluster #4 of 9) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH9-11-E | Carbonic anhydrase IX (cluster #11 of 11) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP51-1-E | Sterol 14-alpha demethylase (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP51-2-B | Sterol 14-alpha demethylase (cluster #2 of 2) | Bacteria | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ELNE-1-E | Neutrophil elastase (cluster #1 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ELNE-3-E | Neutrophil elastase (cluster #3 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| EST1-6-E | Carboxylesterase (cluster #6 of 7) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| EST2-5-E | Carboxylesterase 2 (cluster #5 of 5) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GBRA1-6-E | GABA receptor alpha-1 subunit (cluster #6 of 8) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GBRG2-2-E | GABA receptor gamma-2 subunit (cluster #2 of 7) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| HRH1-2-E | Histamine H1 receptor (cluster #2 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| IGF1R-1-E | Insulin-like growth factor 1 receptor (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ISPE-1-B | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (cluster #1 of 1) | Bacteria | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| KCNH2-1-E | HERG (cluster #1 of 5) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| KCNH2-5-E | HERG (cluster #5 of 5) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| MMP13-1-E | Matrix metalloproteinase 13 (cluster #1 of 4) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| MTR1A-1-E | Melatonin receptor 1A (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| MTR1B-1-E | Melatonin receptor 1B (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| NPY5R-1-E | Neuropeptide Y receptor type 5 (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PARP1-3-E | Poly [ADP-ribose] polymerase 1 (cluster #3 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PLAP-1-E | Phospholipase A-2-activating protein (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PPBT-1-E | Alkaline phosphatase tissue-nonspecific (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PTN1-1-E | Protein-tyrosine phosphatase 1B (cluster #1 of 4) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Q9AQH7-1-B | DnaC helicase (cluster #1 of 1) | Bacteria | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SC6A3-1-E | Dopamine transporter (cluster #1 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN1A-1-E | Sodium channel protein type I alpha subunit (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN3A-1-E | Sodium channel protein type III alpha subunit (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN8A-1-E | Sodium channel protein type VIII alpha subunit (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SIRT1-1-E | NAD-dependent deacetylase sirtuin 1 (cluster #1 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| VMAT2-1-E | Synaptic vesicular amine transporter (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z104303-1-O | Muscarinic acetylcholine receptor (cluster #1 of 7) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z104304-1-O | Adrenergic receptor alpha-1 (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT1A-1-E | Serotonin 1a (5-HT1a) receptor (cluster #1 of 4) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) receptor (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT2A-2-E | Serotonin 2a (5-HT2a) receptor (cluster #2 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| A3EZI9-1-V | Hepatitis C virus NS3 protease/helicase (cluster #1 of 3) | Viruses | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AA2BR-1-E | Adenosine A2b receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AURKA-1-E | Serine/threonine-protein kinase Aurora-A (cluster #1 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH1-5-E | Carbonic anhydrase I (cluster #5 of 12) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH2-15-E | Carbonic anhydrase II (cluster #15 of 15) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH2-6-E | Carbonic anhydrase II (cluster #6 of 15) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH3-6-E | Carbonic anhydrase III (cluster #6 of 6) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH4-14-E | Carbonic anhydrase IV (cluster #14 of 16) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH7-8-E | Carbonic anhydrase VII (cluster #8 of 8) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAH9-1-E | Carbonic anhydrase IX (cluster #1 of 11) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DAPK3-1-E | Death-associated protein kinase 3 (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DRD1-1-E | Dopamine D1 receptor (cluster #1 of 4) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DRD2-2-E | Dopamine D2 receptor (cluster #2 of 24) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DRD2-23-E | Dopamine D2 receptor (cluster #23 of 24) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DUS3-1-E | Dual specificity protein phosphatase 3 (cluster #1 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| EST1-2-E | Carboxylesterase (cluster #2 of 7) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| EST2-4-E | Carboxylesterase 2 (cluster #4 of 5) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GBRA2-5-E | GABA receptor alpha-2 subunit (cluster #5 of 8) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GBRA3-7-E | GABA receptor alpha-3 subunit (cluster #7 of 8) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GBRA4-1-E | GABA receptor alpha-4 subunit (cluster #1 of 7) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GBRB1-1-E | GABA receptor beta-1 subunit (cluster #1 of 6) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GBRB2-6-E | GABA receptor beta-2 subunit (cluster #6 of 7) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GPR44-1-E | G protein-coupled receptor 44 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GSK3B-1-E | Glycogen synthase kinase-3 beta (cluster #1 of 7) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| HCAR2-2-E | HM74 nicotinic acid GPCR (cluster #2 of 4) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| KCNN3-1-E | Small conductance calcium-activated potassium channel protein 3 (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| KITH-1-E | Thymidine kinase (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| KS6B1-2-E | Ribosomal protein S6 kinase 1 (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| KTHY-1-B | Thymidylate kinase (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| LEF-2-B | Anthrax lethal factor (cluster #2 of 2) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| LUCI-1-E | Luciferin 4-monooxygenase (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| NFKB1-1-E | Nuclear factor NF-kappa-B p105 subunit (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| NMDZ1-1-E | Glutamate (NMDA) receptor subunit zeta 1 (cluster #1 of 6) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| OXDA-2-E | D-amino-acid oxidase (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PA2GA-1-E | Phospholipase A2, membrane associated (cluster #1 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PARP1-2-E | Poly [ADP-ribose] polymerase 1 (cluster #2 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PGH1-1-E | Cyclooxygenase-1 (cluster #1 of 6) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PGH2-1-E | Cyclooxygenase-2 (cluster #1 of 8) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PK3CA-2-E | PI3-kinase p110-alpha subunit (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PK3CD-1-E | PI3-kinase p110-delta subunit (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PTPA-1-B | Protein phosphatase 2A regulatory subunit B' (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Q3I4V7-1-F | Carbonic anhydrase 2 (cluster #1 of 4) | Fungi | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Q5AJ71-2-F | Carbonic anhydrase (cluster #2 of 4) | Fungi | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Q8DNV6-1-B | UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Q962Y6-1-E | Thioredoxin glutathione reductase (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ROCK1-1-E | Rho-associated protein kinase 1 (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| S1PR1-1-E | Sphingosine 1-phosphate receptor Edg-1 (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| S1PR5-1-E | Sphingosine 1-phosphate receptor Edg-8 (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SAHH-1-E | Adenosylhomocysteinase (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SC6A4-1-E | Serotonin transporter (cluster #1 of 4) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN1A-2-E | Sodium channel protein type I alpha subunit (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN3A-2-E | Sodium channel protein type III alpha subunit (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN8A-2-E | Sodium channel protein type VIII alpha subunit (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SGMR1-1-E | Sigma opioid receptor (cluster #1 of 6) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SRC-1-E | Tyrosine-protein kinase SRC (cluster #1 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TGT-2-B | Queuine tRNA-ribosyltransferase (cluster #2 of 2) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| THRB-8-E | Prothrombin (cluster #8 of 8) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TOP3-1-B | DNA topoisomerase III (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TRY1-4-E | Trypsin I (cluster #4 of 5) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TRY2-3-E | Trypsin II (cluster #3 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TSPO-1-E | Peripheral-type benzodiazepine receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TTHY-1-E | Transthyretin (cluster #1 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| UROK-1-E | Urokinase-type plasminogen activator (cluster #1 of 4) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| UROK-2-E | Urokinase-type plasminogen activator (cluster #2 of 4) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100491-1-O | Sigma 2 receptor (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |