smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)no1 ZINC000408652282 569583821 /nfs/dbraw/zinc/58/38/21/569583821.db2.gz CCQHIEFDVRGMJM-LLVKDONJSA-N 0 2 431.361 0.566 40 5 IBBBLN Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)no1 ZINC000408652283 569583867 /nfs/dbraw/zinc/58/38/67/569583867.db2.gz CCQHIEFDVRGMJM-NSHDSACASA-N 0 2 431.361 0.566 40 5 IBBBLN