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)CCCP(=O)([O-])[O-] 114975879 717149624 /nfs/dbraw/zinc/14/96/24/717149624.db2.gz KHVXWGVASMNWMH-UHFFFAOYSA-O -1 3 182.180 0.260 1 5 ACBFHM