smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] 603581597 346956437 /nfs/dbraw/zinc/95/64/37/346956437.db2.gz VDRMTHHTAAUHIN-UHFFFAOYSA-N 1 1 194.234 2.047 20 5 AEBDMO