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)c2cccc(Br)c2)OCCO3)cc1 ZINC000004244691 194385881 /nfs/dbraw/zinc/38/58/81/194385881.db2.gz SCQXWMMSPPUKQM-UHFFFAOYSA-N -1 0 488.359 4.561 30 10 JJCCRM