smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(Cl)c1[O-] ZINC000571303066 450602980 /nfs/dbraw/zinc/60/29/80/450602980.db2.gz XLUWIMLCUIIUQR-UHFFFAOYSA-N -2 1 442.902 2.918 20 0 IFADML CCCCNc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000436480019 450603129 /nfs/dbraw/zinc/60/31/29/450603129.db2.gz YMNKVUQTJZIUAM-UHFFFAOYSA-N -2 1 433.939 2.706 20 0 IFADML CCNc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000579089326 450602360 /nfs/dbraw/zinc/60/23/60/450602360.db2.gz PNTSJFUKAHUGSF-UHFFFAOYSA-N -2 1 433.939 2.529 20 0 IFADML