smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(O)=NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1 ZINC000044827505 205111653 /nfs/dbraw/zinc/11/16/53/205111653.db2.gz UGBFPDCKVUJAHH-UHFFFAOYSA-N 0 2 353.316 -1.090 10 30 FAEELN