smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(C(=O)NCCC[NH2+]CCCC[NH2+]CCCN)cc1 ZINC000013645785 211046354 /nfs/dbraw/zinc/04/63/54/211046354.db2.gz NFMYWPCUTOYNSC-UHFFFAOYSA-N 2 3 364.490 0.901 1 0 FCAFHP