smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNCC(=O)Nc1ccc(NC(=O)C[NH2+]C)c2c1C(=O)c1ccccc1C2=O ZINC000005996294 204161425 /nfs/dbraw/zinc/16/14/25/204161425.db2.gz PSRHMTWVKZCJMJ-UHFFFAOYSA-N 1 3 380.404 0.778 1 10 GCCFHO