smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc(-c2cc(-c3cccnc3)n[nH]2)cc1 ZINC000216697024 570306142 /nfs/dbraw/zinc/30/61/42/570306142.db2.gz YQMJYOAVLQHFSX-UHFFFAOYSA-N 0 1 277.371 4.436 40 70 CIIBMN