smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCS(=O)(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000036185363 563091828 /nfs/dbraw/zinc/09/18/28/563091828.db2.gz XMUNUYACTDOTAO-UHFFFAOYSA-N 2 3 434.735 3.525 1 30 IHEFHP