smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O ZINC000072320687 569702124 /nfs/dbraw/zinc/70/21/24/569702124.db2.gz IBEGDRZNUYGDBZ-VXKWHMMOSA-N 1 2 486.657 2.509 10 10 JFCELO