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)CCCNc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](C)CC2)n1 ZINC000004306015 435978809 /nfs/dbraw/zinc/97/88/09/435978809.db2.gz MMIYBDDJMCJYAY-UHFFFAOYSA-N 2 1 338.416 0.082 50 5 ECBAMP