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)NCCP(=O)([O-])[O-] 169309028 717155620 /nfs/dbraw/zinc/15/56/20/717155620.db2.gz WYUSYPGVENVLJI-UHFFFAOYSA-O -1 3 183.168 -0.625 1 5 ABBFHM