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+]c1c(C)c(O)c(C)c([N+]#C)c1C 238533994 573839484 /nfs/dbraw/zinc/83/94/84/573839484.db2.gz ZHYVUTNEGIXGFY-UHFFFAOYSA-N 2 1 186.214 3.419 10 0 AGAEMP