smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(/C=N/O)NCC[NH2+]CCC[NH2+]CCNC(=O)/C=N/O ZINC000095115843 373665296 /nfs/dbraw/zinc/66/52/96/373665296.db2.gz JYNMSPLTJVXXPQ-GONBZBRSSA-N 2 0 302.335 -2.292 50 30 DAEARP