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@@](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)(C(=O)[O-])C1CC1 ZINC000539603316 939283107 /nfs/dbraw/zinc/28/31/07/939283107.db2.gz IMHLEKVZABETNR-IBGZPJMESA-N -2 0 433.442 2.379 20 5 IEBDRL C[C@](NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)(C(=O)[O-])C1CC1 ZINC000539603317 939283100 /nfs/dbraw/zinc/28/31/00/939283100.db2.gz IMHLEKVZABETNR-LJQANCHMSA-N -2 0 433.442 2.379 20 5 IEBDRL