smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)c1ccc([N+](C)(C)C)cc1 2037283 717093724 /nfs/dbraw/zinc/09/37/24/717093724.db2.gz YSHJWDAUUFQRFJ-UHFFFAOYSA-N 2 0 194.322 2.080 50 5 AEBARP