smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1C(=O)NCCC(N)=[NH2+] ZINC000029409489 211512730 /nfs/dbraw/zinc/51/27/30/211512730.db2.gz KMTBWQUDAWTUPO-UHFFFAOYSA-N 1 0 362.350 -0.176 1 5 FBBFRO