smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)c1cc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)on1 ZINC000161481290 455573646 /nfs/dbraw/zinc/57/36/46/455573646.db2.gz GNJIVTXPJKGEGP-UHFFFAOYSA-N -2 0 326.360 3.011 20 70 EGIDRL