smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(/C(C)=N/[O-])c1Cl 299805476 168267824 /nfs/dbraw/zinc/26/78/24/168267824.db2.gz PPXXDFSKKVNXLK-IZZDOVSWSA-N -1 1 199.637 2.547 20 30 AFEDMM N#Cc1ccc(-c2ccccc2)cc1[O-] 47207451 169120540 /nfs/dbraw/zinc/12/05/40/169120540.db2.gz DKLJNQAGZBVPLO-UHFFFAOYSA-N -1 1 195.221 2.931 20 30 AFEDMM