smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNc1n[nH]c(NCCC[NH+](C)C)c2ncnc1-2 ZINC000001692109 406675073 /nfs/dbraw/zinc/67/50/73/406675073.db2.gz PSCDEVJXIRSNQM-UHFFFAOYSA-N 2 3 320.445 1.080 40 0 DDABHP