smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccc3c(=O)n(CC[NH2+]CCO)c(=O)c4ccc(c(=O)n1CC[NH2+]CCO)c2c34 ZINC000028639755 563060061 /nfs/dbraw/zinc/06/00/61/563060061.db2.gz BGWSGFDTBZXLAU-UHFFFAOYSA-N 2 0 440.456 -1.771 1 5 IABFRP