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)[NH2+]CC[P@](=O)([O-])O 169309028 717155617 /nfs/dbraw/zinc/15/56/17/717155617.db2.gz WYUSYPGVENVLJI-UHFFFAOYSA-O -1 2 183.168 -0.625 1 5 ABBFLM