smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(C[NH2+]CCC[NH+]2CCOCC2)c2c(ccc3ccccc32)o1 ZINC000023717955 507368266 /nfs/dbraw/zinc/36/82/66/507368266.db2.gz OFPBZNDLLMMCCZ-UHFFFAOYSA-N 2 2 352.434 2.758 50 5 FFBALP