smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])Cc1sc(Nc2nc3ccccc3s2)nc1-c1ccccc1 ZINC000006721533 210231221 /nfs/dbraw/zinc/23/12/21/210231221.db2.gz LDDYYHYPJMQKKL-UHFFFAOYSA-N -1 2 367.455 4.791 10 0 FJAELM