smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000216900234 563712176 /nfs/dbraw/zinc/71/21/76/563712176.db2.gz FFDDHIMJNYBSMG-UHFFFAOYSA-N 0 3 308.425 4.024 40 70 DIIBHN