smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCC[NH3+])NC(=O)C=Cc1ccc(O)c(O)c1 ZINC000053229440 563141392 /nfs/dbraw/zinc/14/13/92/563141392.db2.gz HYWRYOITIZTEES-MCXNIAKKSA-N 1 1 444.492 -0.339 1 10 IBCFMO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)c(O)c1 ZINC000053313276 563142067 /nfs/dbraw/zinc/14/20/67/563142067.db2.gz UXPNZJWOMMVNJB-MCXNIAKKSA-N 1 1 444.492 -0.339 1 10 IBCFMO