smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)[N-]c2nc(C)cc(Cl)n2)cc1 ZINC000217396924 402292634 /nfs/dbraw/zinc/29/26/34/402292634.db2.gz PNUCVDXRQCZTGV-UHFFFAOYSA-N -1 0 313.766 2.248 40 70 DEIBRM