smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(N)cc2)c1 ZINC000040571825 183104465 /nfs/dbraw/zinc/10/44/65/183104465.db2.gz BHPBSAHSWQIATF-UHFFFAOYSA-N -1 3 304.415 3.367 30 0 DGACHM