smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)[O-] ZINC000035409548 172180068 /nfs/dbraw/zinc/18/00/68/172180068.db2.gz IODMKZPHPZCHTC-SSDOTTSWSA-N -2 1 269.213 -0.124 10 5 CBBEML CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)[O-] ZINC000035409547 172179891 /nfs/dbraw/zinc/17/98/91/172179891.db2.gz IODMKZPHPZCHTC-ZETCQYMHSA-N -2 1 269.213 -0.124 10 5 CBBEML