smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ncnc(-n2cc[nH+]c2)c1F 217958825 344408535 /nfs/dbraw/zinc/40/85/35/344408535.db2.gz BKBGGVKRHFAACT-UHFFFAOYSA-N 1 2 192.197 1.364 50 70 ADIALO CC(C)c1noc(C[NH+](C)C)n1 218595315 344414085 /nfs/dbraw/zinc/41/40/85/344414085.db2.gz MTKCFIMZCDHHIP-UHFFFAOYSA-N 1 2 169.228 1.255 50 70 ADIALO