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@@H](C#N)S(=O)(=O)Nc1cc(Br)cc(C(C)(C)C)c1O ZINC000594467696 567478616 /nfs/dbraw/zinc/47/86/16/567478616.db2.gz XOTLRJOKRCFYNQ-JTQLQIEISA-N -2 2 375.288 3.496 20 30 GGEDLL CC[C@H](C#N)S(=O)(=O)Nc1cc(Br)cc(C(C)(C)C)c1O ZINC000594467697 567479063 /nfs/dbraw/zinc/47/90/63/567479063.db2.gz XOTLRJOKRCFYNQ-SNVBAGLBSA-N -2 2 375.288 3.496 20 30 GGEDLL