smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+]1(C[NH+]2CCCCC2)CCCCC1 ZINC000019319633 347321804 /nfs/dbraw/zinc/32/18/04/347321804.db2.gz OBXPHAMTVXWVDG-UHFFFAOYSA-N 2 2 211.373 2.450 40 5 BEBBLP