Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399906
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
|---|---|---|---|---|---|
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
1DO | 1-DODECANOL | A,Z | 2CFZ | 0.7 |  |
BOG | B-OCTYLGLUCOSIDE | A,B | 3E6L | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2RCU | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 3GJC | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2QJU | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2DEB | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1EQG | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1LPB | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1IGX | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1M8D | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 3E68 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1AUA | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1K8Q | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2CMB | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2JAG | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 3B6H | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1FX8 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1C4O | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2EVU | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,D | 1LRT | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1ZYJ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1ILZ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1IM0 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1W6K | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1D2M | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | X | 2FGQ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | X | 2FSM | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2PV5 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,D | 1PXX | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1FE2 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3GD8 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1U7G | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1Q4G | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3C02 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2PTO | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,D | 1B4W | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1ECZ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,D | 1C1J | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2R4J | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3B9Y | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2QB4 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2QEI | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2QCU | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1Q7T | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,C,D,E,N,P, Q,R | 3H1H | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,C,D,E,N,P, Q,R | 3H1K | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2R45 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,D,E,F | 1NKZ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1W6J | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | X | 2FSL | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1QD5 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,D,F,G,H,I | 1JMU | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | C,D,E | 1BCC | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2Z73 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2R4E | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3B9W | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | C,D,E | 2BCC | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1IGZ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2F95 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1LDA | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3BIF | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1CQE | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1JWK | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1JGJ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3F3A | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2GQ8 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1H2S | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3F4I | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,D | 1DDX | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,D | 1M2Z | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | X | 2FST | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1XEZ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3F4J | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2NS1 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1ILD | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | D,E,G | 1YK3 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | P | 2OYU | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,D,E,F, G,H | 3BKD | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3F3D | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2PTJ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1OKE | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1NF8 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2P4B | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1M9T | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2PKJ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | L,M | 4RCR | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2R46 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1HT5 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2IWW | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2Q72 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,D,E,F | 1IJD | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1ZZ2 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2CMC | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,C,D,E,G,P, Q,R,W | 3CWB | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2BIF | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1LDI | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2A65 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2O9G | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2JAF | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2PV8 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3F48 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1TCB | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,D | 2CZV | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1HT8 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3DQB | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | P | 2OYE | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1DIY | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2AYL | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3F3E | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1VE6 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2Q6H | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1I78 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1PGE | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1P49 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3GJD | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1PTH | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1CVU | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2GOU | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 2OXL | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2CNE | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1NF9 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1TCC | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1YC9 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | 1,2,3,4,5,6, 7,8,A,B,C,D, E,F,G,H,I,J, K,L,M,N,P,Q, S,T,U,W,X,Y,Z | 1L6L | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1UUM | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1YZ4 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1U67 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3F3C | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1JWJ | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | X | 2FSO | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,F,H,I, J,K | 2HD0 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 1LDF | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2AA2 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B,C,D,E,F | 2G3N | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A,B | 1EQH | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 3B9Z | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2F93 | 0.73 | |
| BOG | B-OCTYLGLUCOSIDE | A | 2NPQ | 0.73 | |
HND | (4S)-nonane-1,4-diol | A | 2KAR | 0.76 | |
| HND | (4S)-nonane-1,4-diol | A | 2KAS | 0.76 | |
ASO | 1,5-ANHYDROSORBITOL | A | 1XIE | 0.71 | |
| ASO | 1,5-ANHYDROSORBITOL | A | 3GUH | 0.71 | |
| ASO | 1,5-ANHYDROSORBITOL | A,B | 2ASV | 0.71 | |
| ASO | 1,5-ANHYDROSORBITOL | H,L | 2EC9 | 0.71 | |
HSH | octyl beta-D-galactopyranoside | A | 2O9D | 0.73 | |
LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1O0A | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 2I20 | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1F4Z | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1F50 | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1M0K | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1P8I | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1JV7 | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1JV6 | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1M0L | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1P8U | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 2I1X | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1KG8 | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 2I21 | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1P8H | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1C8R | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1M0M | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1MGY | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1KG9 | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1S8J | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1C3W | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1KGB | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1C8S | 0.72 | |
| LI1 | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN- 16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN- 16-YL]GLYCEROL | A | 1S8L | 0.72 | |
BGL | B-2-OCTYLGLUCOSIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJY | 0.75 | |
| BGL | B-2-OCTYLGLUCOSIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.75 | |
| BGL | B-2-OCTYLGLUCOSIDE | A,B | 1L9N | 0.75 | |
| BGL | B-2-OCTYLGLUCOSIDE | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.75 | |
| BGL | B-2-OCTYLGLUCOSIDE | A | 1TAU | 0.75 | |
| BGL | B-2-OCTYLGLUCOSIDE | B | 1RC2 | 0.75 | |
| BGL | B-2-OCTYLGLUCOSIDE | C,H,L,M | 1EYS | 0.75 | |
| BGL | B-2-OCTYLGLUCOSIDE | A,B | 3CAP | 0.75 | |
| BGL | B-2-OCTYLGLUCOSIDE | A | 1TAQ | 0.75 | |
| BGL | B-2-OCTYLGLUCOSIDE | A,B,C,E,F,G | 2ABM | 0.75 | |
FRU | FRUCTOSE | A | 1FIT | 0.74 | |
| FRU | FRUCTOSE | A,B,C,D,E,F, G,H,S,T | 3B75 | 0.74 | |
| FRU | FRUCTOSE | A,B,C | 1AF6 | 0.74 | |
| FRU | FRUCTOSE | A,B,C | 2INV | 0.74 | |
| FRU | FRUCTOSE | A | 1Y9G | 0.74 | |
| FRU | FRUCTOSE | A | 2O51 | 0.74 | |
| FRU | FRUCTOSE | A,B | 1N3P | 0.74 | |
| FRU | FRUCTOSE | A,B,C,D | 2HK1 | 0.74 | |
| FRU | FRUCTOSE | B,C,F,H,I,K,L | 2DD4 | 0.74 | |
| FRU | FRUCTOSE | A,B,C,D | 2I58 | 0.74 | |
| FRU | FRUCTOSE | A,C | 1LES | 0.74 | |
| FRU | FRUCTOSE | A | 2ADE | 0.74 | |
| FRU | FRUCTOSE | A,B | 3BRQ | 0.74 | |
| FRU | FRUCTOSE | A | 2HW1 | 0.74 | |
| FRU | FRUCTOSE | A | 2FIT | 0.74 | |
| FRU | FRUCTOSE | A | 3FIT | 0.74 | |
| FRU | FRUCTOSE | A,B | 1N3Q | 0.74 | |
| FRU | FRUCTOSE | A | 2DWJ | 0.74 | |
C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 2R8A | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 2VQI | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 2POR | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1H35 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 2F1T | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,D,E | 2GR7 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 5PRN | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 2QTK | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1PRN | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1HXT | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1GFP | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1NQG | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 7PRN | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | X | 3DWO | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1H39 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 2BIX | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1H3B | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1O6H | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1QJP | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 2ODJ | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1GFO | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 3BRY | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 3BRZ | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1GFQ | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 2ZFG | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1BXW | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1GFN | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 2O4V | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,C | 1ETH | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1O6Q | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | X | 2F1C | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1BH3 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1O79 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 3DZM | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 2SQC | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 8PRN | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1O6R | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 2PRN | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 3BS0 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1QJ8 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1H3A | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1MPF | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1NQH | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1GSZ | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1NQE | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1HXX | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1H37 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 1T16 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1GFM | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B | 1GZM | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 3PRN | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 2OMF | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1UMP | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1H36 | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A,B,C | 1H3C | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 3C9L | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 6PRN | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 1NQF | 0.77 | |
| C8E | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | A | 3POR | 0.77 | |
CE1 | O-DODECANYL OCTAETHYLENE GLYCOL | A,B | 2B7O | 0.75 | |
| CE1 | O-DODECANYL OCTAETHYLENE GLYCOL | A,B,D,M,N,O,P | 1L0V | 0.75 | |
| CE1 | O-DODECANYL OCTAETHYLENE GLYCOL | A,B,D,M,N,O,P | 1KFY | 0.75 | |
| CE1 | O-DODECANYL OCTAETHYLENE GLYCOL | A,B,C,D | 2W1A | 0.75 | |
| CE1 | O-DODECANYL OCTAETHYLENE GLYCOL | A,B,C,M,N,O,P | 1KF6 | 0.75 | |
C10 | HEXAETHYLENE GLYCOL MONODECYL ETHER | A,B | 2BHI | 0.77 | |
PA3 | PAROMOMYCIN (RING 3) | A | 1PBR | 0.74 | |
CE9 | DODECYL NONA ETHYLENE GLYCOL ETHER | A | 3DM8 | 0.75 | |
DE1 | DECAN-1-OL | A | 1ZNL | 0.7 | |
3HD | 3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL | A | 2HGO | 0.73 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2HH1 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UWT | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UXK | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 1RZH | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2HG3 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UX3 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A | 2PIL | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A,B | 1U19 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2J8D | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A,B,C,D | 3DTU | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UX4 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A,B | 1HZX | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A,B | 2G87 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A,B | 2PED | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | C,H,L,M | 3D38 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UWV | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 1RG5 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A | 1KMO | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | C,H,L,M | 1L9B | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UWU | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A | 1AY2 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A,B | 1RP0 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | C,H,L,M | 2I5N | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2J8C | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2HJ6 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UXJ | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | L,M | 1YF6 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | B | 2BF3 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A,B | 2HPY | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UX5 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | L,M,X | 2UXM | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UXL | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A,B | 1L9H | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A | 2HI2 | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | A,B,D,E,G,H, J,K | 1LGH | 0.76 | |
| HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UWW | 0.76 | |
OC9 | OCTAN-1-OL | A | 1ZNH | 0.7 | |
| OC9 | OCTAN-1-OL | A | 2QHV | 0.7 | |
B7G | HEPTYL-BETA-D-GLUCOPYRANOSIDE | A,B | 1Y0S | 0.71 | |
| B7G | HEPTYL-BETA-D-GLUCOPYRANOSIDE | A,B | 2B50 | 0.71 | |
| B7G | HEPTYL-BETA-D-GLUCOPYRANOSIDE | A,B | 2ZNP | 0.71 | |
| B7G | HEPTYL-BETA-D-GLUCOPYRANOSIDE | A,B | 2AWH | 0.71 | |
| B7G | HEPTYL-BETA-D-GLUCOPYRANOSIDE | A,B | 2ZNQ | 0.71 | |
| B7G | HEPTYL-BETA-D-GLUCOPYRANOSIDE | A | 3GZ9 | 0.71 | |
| B7G | HEPTYL-BETA-D-GLUCOPYRANOSIDE | A,D | 1QPF | 0.71 | |
| B7G | HEPTYL-BETA-D-GLUCOPYRANOSIDE | A,B | 2BAW | 0.71 | |
CXE | PENTAETHYLENE GLYCOL MONODECYL ETHER | A,B | 2ERV | 0.77 | |
| CXE | PENTAETHYLENE GLYCOL MONODECYL ETHER | X | 1UYN | 0.77 | |
| CXE | PENTAETHYLENE GLYCOL MONODECYL ETHER | A | 1P4T | 0.77 | |
| CXE | PENTAETHYLENE GLYCOL MONODECYL ETHER | X | 1UYO | 0.77 | |
| CXE | PENTAETHYLENE GLYCOL MONODECYL ETHER | A,B | 3FID | 0.77 | |
F09 | NONAN-1-OL | A,C | 2DWD | 0.7 | |
| F09 | NONAN-1-OL | B,C | 1R3L | 0.7 | |
| F09 | NONAN-1-OL | C,H | 1R3I | 0.7 | |
| F09 | NONAN-1-OL | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V | 1YCE | 0.7 | |
| F09 | NONAN-1-OL | C | 2DWE | 0.7 | |
| F09 | NONAN-1-OL | A,C | 2HVJ | 0.7 | |
| F09 | NONAN-1-OL | B,C | 1R3J | 0.7 | |
| F09 | NONAN-1-OL | C | 1K4D | 0.7 | |
| F09 | NONAN-1-OL | A,C | 1K4C | 0.7 | |
| F09 | NONAN-1-OL | C | 2ATK | 0.7 | |
| F09 | NONAN-1-OL | A,C | 1ZWI | 0.7 | |
| F09 | NONAN-1-OL | A | 1ZNK | 0.7 | |
| F09 | NONAN-1-OL | B,C | 1S5H | 0.7 | |
| F09 | NONAN-1-OL | A,C | 2HVK | 0.7 | |
| F09 | NONAN-1-OL | A,C | 2P7T | 0.7 | |
BNG | B-NONYLGLUCOSIDE | A | 3B44 | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A,B | 2QKS | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A | 1J4N | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A,B,C,D,E,F, G,H,I,J | 1RWT | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A,B | 1XME | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A,B | 1L9H | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | B | 1LPA | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A | 3B45 | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A | 1YMG | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A | 2IC8 | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A,B | 1HZX | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A,B,C | 3EH4 | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A | 2O7L | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A,B | 1VGO | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A,B | 1EHK | 0.73 | |
| BNG | B-NONYLGLUCOSIDE | A,B,C | 3EH5 | 0.73 | |
HSG | octyl alpha-L-altropyranoside | A | 2O9D | 0.73 | |
L2P | 2,3-DI-PHYTANYL-GLYCEROL | A | 1QM8 | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | A | 1UCQ | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | A | 2ZFE | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | A | 2EI4 | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | A | 1IW9 | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | A | 1IXF | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | A,B,D,E | 2Z55 | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | 1 | 1X0K | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | A | 1X0S | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | 1 | 1X0I | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | A | 1DZE | 0.72 | |
| L2P | 2,3-DI-PHYTANYL-GLYCEROL | A | 1IW6 | 0.72 | |
SUM | 2-[3,4-DIHYDROXY-2-HYDROXYMETHYL- 5-(2-HYDROXY-NONYL)-TETRAHYDRO- FURAN-2-YLOXY]-6-HYDROXYMETHYL- TETRA HYDRO-PYRAN-3,4,5-TRIOL | A | 1IZ2 | 0.73 | |
LFR | BETA-L-FRUCTO-FURANOSE | A | 2CGJ | 0.74 | |
| LFR | BETA-L-FRUCTO-FURANOSE | A | 2CGL | 0.74 | |
| LFR | BETA-L-FRUCTO-FURANOSE | A | 1ZX5 | 0.74 | |
GZL | BETA-D-GALACTOFURANOSE | A | 2VK2 | 0.71 | |
N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B,C | 2W6U | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B,C | 2W16 | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B,C | 2W76 | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B,C | 2W78 | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B,C,D | 1WDK | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B,C | 2W6T | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B | 2W75 | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A | 1TV5 | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B | 2O5P | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B,C,D | 1WDL | 0.77 | |
| N8E | 3,6,9,12,15-PENTAOXATRICOSAN-1- OL | A,B,C | 2W77 | 0.77 | |
ODI | OCTANE-1,8-DIOL | A | 2DM5 | 0.7 | |
HNB | (2S,5R)-5-pentyltetrahydrofuran- 2-ol | A | 2K8T | 0.76 | |
| HNB | (2S,5R)-5-pentyltetrahydrofuran- 2-ol | A | 2K8U | 0.76 | |
LRH | 6-DEOXY-BETA-L-FRUCTOFURANOSE | A | 2UYT | 0.76 | |
PQE | 3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN- 1-OL | A | 2NR9 | 0.76 | |
GVT | 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan- 1-ol | A,B,C,D,E,F, G,H,I | 2VQG | 0.75 | |