smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(CN1CCCCC1)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000160747885 337383406 /nfs/dbraw/zinc/38/34/06/337383406.db2.gz JNANMQDAKQTDHT-UHFFFAOYSA-N 1 3 308.510 3.676 50 70 DHIAHO