smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)c1cccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000160070201 463317350 /nfs/dbraw/zinc/31/73/50/463317350.db2.gz ZPCJEEPBPKUDSB-UHFFFAOYSA-N -1 2 330.369 2.351 40 70 EEIBLM