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+]1(Cc2ccc(C(N)=O)cc2)CCC(CCC2CC[N+](C)(Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000004683904 525358331 /nfs/dbraw/zinc/35/83/31/525358331.db2.gz DYOHCPPIJQTQMX-UHFFFAOYSA-P 2 0 492.708 4.078 40 5 JIBBRP