smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000278674050 530097322 /nfs/dbraw/zinc/09/73/22/530097322.db2.gz QBXQRDYXCCHJSB-UHFFFAOYSA-N -2 3 379.416 -1.041 20 10 GACDHL