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)Nc1ccc(CN2CCC(NC(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)CC2)cc1 ZINC001478664793 1070036925 /nfs/dbraw/zinc/03/69/25/1070036925.db2.gz NLKSSHDSDMFFJL-FGZHOGPDSA-N 2 3 458.651 1.990 20 0 JDADHP