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@@](C(=O)O[C@H]1C[N+]2(CC(N)=O)CCC1CC2)(c1cccs1)[NH+]1CCCCC1 ZINC000073167198 717134392 /nfs/dbraw/zinc/13/43/92/717134392.db2.gz WKMMKXONQAAZDT-JZXTWQBISA-O 2 2 406.572 2.087 1 30 HEEFLP C[C@@](C(=O)O[C@H]1C[N+]2(CC(N)=O)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1 ZINC000073167195 717134410 /nfs/dbraw/zinc/13/44/10/717134410.db2.gz DYNQEVUMIFLEOX-WFMIRFNLSA-O 2 2 400.543 2.025 1 30 HEEFLP