smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(NC(=O)CN2CC[NH+](CCO)CC2)cc1 ZINC000022941690 569217571 /nfs/dbraw/zinc/21/75/71/569217571.db2.gz HPYNXOZAPJDXPD-UHFFFAOYSA-N 2 2 448.568 -1.217 10 0 IAAELP