smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCCN1CCC(F)(F)CC1 85652806 169180937 /nfs/dbraw/zinc/18/09/37/169180937.db2.gz SLFHCDIAYMEENA-UHFFFAOYSA-N 1 3 192.253 1.456 30 0 ADACHO