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-]c2cc3c(cc2C(=O)Cc2ccccc2)OCCO3)cc1 ZINC000004244690 569071103 /nfs/dbraw/zinc/07/11/03/569071103.db2.gz LXTFMLQMVXIJQV-UHFFFAOYSA-N -1 0 423.490 3.992 30 0 HHACRM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1nc2nc(Cl)nc(Cl)c2s1 ZINC000015444075 559056681 /nfs/dbraw/zinc/05/66/81/559056681.db2.gz YMWSXIWGLHBMAN-UHFFFAOYSA-N -1 0 409.707 3.525 30 0 HHACRM