Uploaded data set contains the mass spec labelling data covalent inhibitor campaign against TBXTA-C006. The data was collected at Oxford and it contains the Structure IDs we use, the SMILE strings, an
Thrombin in complex with inhibitor Descriptor: (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-gluco
