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)CCCCNc1ccc(NCCCC[NH+](C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000005012923 524052842 /nfs/dbraw/zinc/05/28/42/524052842.db2.gz LPSUCJBWBVUILJ-UHFFFAOYSA-N 2 0 468.598 3.381 40 10 JGCBRP