smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[N-]C1=NC(=O)C(=CNCC(=O)NCC(=O)[O-])S1 ZINC000618255243 373281191 /nfs/dbraw/zinc/28/11/91/373281191.db2.gz TYWFFNIYDJXQEJ-KXFIGUGUSA-N -2 3 300.296 -1.616 40 10 DACBHL