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)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000033988641 1072655579 /nfs/dbraw/zinc/65/55/79/1072655579.db2.gz DSBPAFWXMCKFIM-BSOLPCOYSA-N -1 1 414.459 -2.373 30 0 HAACMM