smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(N2N=C(C(=O)[O-])CC2=O)cc(N)cc1S(=O)(=O)[O-] ZINC000033605826 395717838 /nfs/dbraw/zinc/71/78/38/395717838.db2.gz IRJVHHLEYCHGJH-UHFFFAOYSA-N -2 1 313.291 0.001 10 10 DCCEML