smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC(=O)NCCNCCNCC[NH3+] ZINC000103829900 519988805 /nfs/dbraw/zinc/98/88/05/519988805.db2.gz VHZCVFYXWVNUHI-UHFFFAOYSA-N 1 3 384.653 3.722 10 30 GHEEHO