smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](N)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)[NH3+])CCOCCOCC1 ZINC000004661806 558874738 /nfs/dbraw/zinc/87/47/38/558874738.db2.gz IILZRNRJZPPHNX-HZPDHXFCSA-N 1 3 404.508 -1.582 50 0 HAAAHO C[C@H](N)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)[NH3+])CCOCCOCC1 ZINC000004661807 558874671 /nfs/dbraw/zinc/87/46/71/558874671.db2.gz IILZRNRJZPPHNX-HOTGVXAUSA-N 1 3 404.508 -1.582 50 0 HAAAHO