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)CCCOP(=O)([O-])[O-] 3649864 717097305 /nfs/dbraw/zinc/09/73/05/717097305.db2.gz QAOGRXNRTKIVKJ-UHFFFAOYSA-O -1 0 198.179 0.192 1 5 ACBFRM