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)(N)CCCl 2019855 717093734 /nfs/dbraw/zinc/09/37/34/717093734.db2.gz FXYGVVMIHVKCMW-UHFFFAOYSA-N 1 3 123.607 0.175 50 50 ACGAHO