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-])c1ccc(S(=O)(=O)N[N-]C(=O)c2cnccn2)cc1 ZINC000025147065 957159634 /nfs/dbraw/zinc/15/96/34/957159634.db2.gz RCADOKYVJVPYJM-UHFFFAOYSA-N -2 2 322.302 -0.202 20 50 DBGDLL