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)[n-]c(=O)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000216843474 557157349 /nfs/dbraw/zinc/15/73/49/557157349.db2.gz QIFZHROTFGFXPU-UHFFFAOYSA-N -2 3 443.507 -0.891 40 70 IBIBHL