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](O[P@@](=O)([O-])O)[C@H](NC(=O)CCCCCCS)C(=O)[O-] ZINC000003869535 210080892 /nfs/dbraw/zinc/08/08/92/210080892.db2.gz JBJSVEVEEGOEBZ-SCZZXKLOSA-N -2 2 343.338 0.934 10 30 in-vitro ECEELL C[C@@H](O[P@](=O)([O-])O)[C@H](NC(=O)CCCCCCS)C(=O)[O-] ZINC000003869535 210080896 /nfs/dbraw/zinc/08/08/96/210080896.db2.gz JBJSVEVEEGOEBZ-SCZZXKLOSA-N -2 2 343.338 0.934 10 30 in-vitro ECEELL