smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc[n+](C)c1C[C@@H]1C([N+](=O)[O-])=CN=C2[NH+]=CNN21 ZINC000001424733 534547105 /nfs/dbraw/zinc/54/71/05/534547105.db2.gz RQYJGPBCFVBJQV-LLVKDONJSA-N 2 2 287.303 0.067 50 5 CCBALP Cc1ccc[n+](C)c1C[C@H]1C([N+](=O)[O-])=CN=C2[NH+]=CNN21 ZINC000001424732 534547562 /nfs/dbraw/zinc/54/75/62/534547562.db2.gz RQYJGPBCFVBJQV-NSHDSACASA-N 2 2 287.303 0.067 50 5 CCBALP