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)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1[O-] ZINC000028712805 563077222 /nfs/dbraw/zinc/07/72/22/563077222.db2.gz NXOIYZRRBWZQAP-SGTLLEGYSA-N -1 1 481.465 2.126 1 5 JEBFMM