smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc(-c2nc(CCCOC)cc(=O)[n-]2)cn1 ZINC000217789618 375732966 /nfs/dbraw/zinc/73/29/66/375732966.db2.gz OPGXZLDZKCPAHY-UHFFFAOYSA-N -1 1 262.313 1.645 40 70 CDIBMM COC(=O)c1n[n-]c(C(F)(F)F)c1C(=O)OC ZINC000217768773 375728142 /nfs/dbraw/zinc/72/81/42/375728142.db2.gz ISKZBNBGXCJGIQ-UHFFFAOYSA-N -1 1 252.148 1.002 40 70 CDIBMM CN(C)C(=O)CCCc1c(O)nc(C(F)(F)F)[n-]c1=O ZINC000217598677 366267789 /nfs/dbraw/zinc/26/77/89/366267789.db2.gz AKLDGYBWXUZDKM-UHFFFAOYSA-N -1 1 293.245 1.318 40 70 CDIBMM