smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(C=[NH+][N-]c1nnc2c3ccccc3nc-2[n-]1)=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000020533911 558385211 /nfs/dbraw/zinc/38/52/11/558385211.db2.gz DCNOMOADPNPFCU-VGENTYGXSA-N -2 3 422.416 2.821 10 30 HFEEHL