smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC(CCCCC)=NNC(=O)[O-] ZINC000829312354 600722491 /nfs/dbraw/zinc/72/24/91/600722491.db2.gz VFQWGXAPINCJKD-UHFFFAOYSA-N -1 0 228.336 3.771 20 50 BHGDRM