smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Br ZINC000161285505 565280317 /nfs/dbraw/zinc/28/03/17/565280317.db2.gz QFYUKDYOHZGMQA-UHFFFAOYSA-N -2 3 376.203 3.103 10 70 GGIEHL COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000161301026 565280256 /nfs/dbraw/zinc/28/02/56/565280256.db2.gz FATVPAIBSUQQLJ-UHFFFAOYSA-N -2 3 376.203 3.103 10 70 GGIEHL