smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(-n2[nH]c(C(=O)[O-])cc2=O)cc(N)cc1S(=O)(=O)[O-] ZINC000033605826 395717841 /nfs/dbraw/zinc/71/78/41/395717841.db2.gz IRJVHHLEYCHGJH-UHFFFAOYSA-N -2 2 313.291 0.001 10 10 DCCELL