smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](C)c1oc(=O)cc([O-])c1C 61944965 167039385 /nfs/dbraw/zinc/03/93/85/167039385.db2.gz UVXUZQYPELYJOD-SSDOTTSWSA-N -1 1 196.246 2.557 3 0 AFAFMM CCC[C@H](C)c1oc(=O)cc([O-])c1C 61944966 167074576 /nfs/dbraw/zinc/07/45/76/167074576.db2.gz UVXUZQYPELYJOD-ZETCQYMHSA-N -1 1 196.246 2.557 3 0 AFAFMM