smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[N+]1(CCOCC[N+]2(CCO)CCOCC2)CCOCC1 ZINC000004416969 210190907 /nfs/dbraw/zinc/19/09/07/210190907.db2.gz OEETVFYNYBCLGQ-UHFFFAOYSA-N 2 0 334.457 -1.318 40 5 EABBRP