smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CON[NH2+]Cc1ccc(O)c(O)c1O ZINC000205421263 368405190 /nfs/dbraw/zinc/40/51/90/368405190.db2.gz SQWGLJCJQBGPRG-UHFFFAOYSA-N 1 1 200.194 -0.041 2 10 BBCFMO