smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSSCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689240961 954649534 /nfs/dbraw/zinc/64/95/34/954649534.db2.gz WYLFVJSBDYOPIG-ZETCQYMHSA-N -1 0 300.427 0.381 10 50 DCGERM