smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(CN1CCOCC1)NC1=[NH+]CCN1C1=NCCN1 ZINC000096027909 185067623 /nfs/dbraw/zinc/06/76/23/185067623.db2.gz SAEJWAIIPRBOJM-UHFFFAOYSA-N 1 3 266.349 -1.461 50 30 CAEAHO