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)CCCCC[NH2+]CCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12 ZINC000238736576 717162349 /nfs/dbraw/zinc/16/23/49/717162349.db2.gz KGFHCRVHLMTSOH-UHFFFAOYSA-O 2 3 489.729 2.744 1 5 JFBFHP