smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)N[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000014122801 211075525 /nfs/dbraw/zinc/07/55/25/211075525.db2.gz QERCBAIKJBAJKH-UHFFFAOYSA-N -2 2 370.408 0.865 50 0 FCAALL Cc1ccc(S(=O)(=O)[N-]NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000014122801 211075528 /nfs/dbraw/zinc/07/55/28/211075528.db2.gz QERCBAIKJBAJKH-UHFFFAOYSA-N -2 2 370.408 0.865 50 0 FCAALL