smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1[O-])C(=O)[O-] ZINC000028712811 563077192 /nfs/dbraw/zinc/07/71/92/563077192.db2.gz MRSUJYSMUJQIDN-GTNSWQLSSA-N -2 1 467.438 2.038 1 5 JEBFML