smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)n2)cc1 ZINC000216850363 535094204 /nfs/dbraw/zinc/09/42/04/535094204.db2.gz MLOCVFGYPWUFTG-UHFFFAOYSA-N 1 1 339.487 3.623 40 70 EHIBMO