smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)c1O)N1CCCCC1 ZINC000436480331 452922428 /nfs/dbraw/zinc/92/24/28/452922428.db2.gz VMQMXWITNSXQCF-UHFFFAOYSA-N -1 2 429.325 4.126 20 0 IIADLM