smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]C1CCN(C)CC1 ZINC000216843390 280182133 /nfs/dbraw/zinc/18/21/33/280182133.db2.gz JWXWERWEWJDUQL-UHFFFAOYSA-N -1 3 302.356 -1.256 40 70 DAIBHM