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)[N-]S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000044827505 205111663 /nfs/dbraw/zinc/11/16/63/205111663.db2.gz UGBFPDCKVUJAHH-UHFFFAOYSA-N -2 3 353.316 -1.090 10 30 FAEEHL NC([O-])=NS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000044827505 205111660 /nfs/dbraw/zinc/11/16/60/205111660.db2.gz UGBFPDCKVUJAHH-UHFFFAOYSA-N -2 3 353.316 -1.090 10 30 FAEEHL NC(=O)N=S(=O)([O-])c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000044827505 205111657 /nfs/dbraw/zinc/11/16/57/205111657.db2.gz UGBFPDCKVUJAHH-UHFFFAOYSA-N -2 3 353.316 -1.090 10 30 FAEEHL