smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCNC1=NC(C)(C)[NH+]=C(NCc2ccc(Cl)cc2)N1 ZINC000049867237 205130856 /nfs/dbraw/zinc/13/08/56/205130856.db2.gz TWFYQJUATOXDBT-UHFFFAOYSA-N 1 3 377.964 4.431 1 30 GIEFHO CCCCCCCCNC1=NC(C)(C)[NH+]=C(NCc2ccccc2Cl)N1 ZINC000049867239 222003203 /nfs/dbraw/zinc/00/32/03/222003203.db2.gz SXKUUEPKQJLBSG-UHFFFAOYSA-N 1 3 377.964 4.431 1 30 GIEFHO