| complex_name,protein_path,ligand_description,protein_sequence | |
| 1a0q,data/1a0q/1a0q_protein_processed.pdb,data/1a0q/1a0q_ligand.sdf, | |
| 1a0q_custom,data/1a0q/1a0q_protein_processed.pdb,COc(cc1)ccc1C#N, |
| complex_name,protein_path,ligand_description,protein_sequence | |
| 1a0q,data/1a0q/1a0q_protein_processed.pdb,data/1a0q/1a0q_ligand.sdf, | |
| 1a0q_custom,data/1a0q/1a0q_protein_processed.pdb,COc(cc1)ccc1C#N, |