smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=C/C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000053295427 523401673 /nfs/dbraw/zinc/40/16/73/523401673.db2.gz GMFIEHDHMSRPRZ-FRKPEAEDSA-N -1 1 407.491 4.701 20 30 HJEDMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F ZINC000066066336 569393818 /nfs/dbraw/zinc/39/38/18/569393818.db2.gz OBBIOCQFTMNSJI-PXNMLYILSA-N -1 1 420.368 4.702 20 30 in-vivo HJEDMM